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Graphene - Science topic

Platform for anything related to graphene; its synthesis and applications
Questions related to Graphene
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I am planning to electrospun a water-soluble polymer with rGO.
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Ams Jekhan Common solvents for dissolving reduced graphene oxide (rGO) include N,N-Dimethylformamide (DMF), ammonia solution, hydroquinone, hydroxyrazine hydrate, and ascorbic acid.
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I would like to learn the details coding GFET through SILVACO but need reference. Hoping anyone could help me
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Hey there Muhamad Hazim Ahmad Ghazali! Sure thing, I've got you Muhamad Hazim Ahmad Ghazali covered. Here's a snippet of Silvaco code for a Graphene Field Effect Transistor (GFET) simulation:
```silvaco
# GFET Simulation
# Material Definitions
material graphene
mobility = 2000
density = 1e13
temperature = 300
conductivity = 2.5e-5
eps = 0.1
tref = 300
mstar = 0.2
mumin = 2000
bfield = 0.05
contact mumin
# Mesh Definitions
mesh x 1.0e-9
# Device Definitions
device gfet
substrate SiO2
top_contact metal
bottom_contact metal
material graphene
length = 100e-9
width = 50e-9
thickness = 1e-9
doping n 1e17
# Simulation Settings
solve init
solve equilibrium
solve balance
solve dc vds = 0 1 0.1 vgs = 0 1 0.1
# Output
output current_vgs_vds
```
This code sets up a basic GFET simulation, defining the material properties, mesh, device parameters, and simulation settings. You Muhamad Hazim Ahmad Ghazali can tweak these parameters according to your specific requirements.
Feel free to give it a try and let me know if you Muhamad Hazim Ahmad Ghazali need any further assistance or clarification! Happy simulating!
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A single layer of carbon atoms arranged in such a honeycomb structure forms a single graphene sheet. Several sheets stacked one on top of the other are regarded as multi-layer graphene, up to the point where the material becomes graphite (usually over about 30 layers, although clear standardization is severely lacking at the moment). Graphite, a 3D crystal composed of weakly coupled graphene layers, is a relatively common material - used in pencil tips, batteries and many more. In graphene, each carbon atom is covalently bonded to three other carbon atoms. Thanks to the strength of the covalent bonds between carbon atoms, graphene boasts great stability and a very high tensile strength (the force in which you can stretch something before it breaks). Since graphene is flat, every atom is on the surface and is accessible from both sides, so there is more interaction with surrounding molecules. Also, the carbon atoms are bonded to only three other atoms, although they have the capability to bond to a fourth atom. This capability, combined with the aforementioned tensile strength and high surface area to volume ratio of graphene may make it appealing for use in composite materials. Graphene also enjoys electron mobility that is higher than any known material and researchers are developing methods to use this property in electronics. These futuristic properties of graphene made a future mobile oil with inclusion of gasoline products.
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@Jürgen Weippert, Dear Sir, I can understand your point but there are so many carbon sources that can be supplement for graphene biomass like sea weed, You are very right but nothing is impossible. https://doi.org/10.1016/j.mset.2021.01.005
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I would like to ask about the best conditions of sonication of graphite oxide in terms of apparatus (probe or bath), time and power in order to effectively exfoliate the graphite oxide without damaging the structure of GO sheets. The objective is to obtain water dispersion of about 5 mg/mL of the highest possible quality.
Thank you very much.
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@Rodolfo Fernández-Martínez, please refer recently published research work
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I am working to check the effect of particle size on the quality of graphene.
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The small size graphite having higher surface area, higher surface energy more expose towards the functional sites consequently more prone to oxidise unlike larger one.@Qaiser Ali Khan
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My suggestion is phase transfer or using a dialysis bag. Is there any way to precipitate sodium hydroxide?
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Washing can be best way vi alternate solvent . Use dilute HCl, water, and ethanol alternatively. As the HCl could be able to weaken the linkages of NaOH associated with Graphene because as per my understanding the HCl try to cape Na to form NaCl which soluble in water and after washing with water it can be remove. Sedigheh Mousanezhad
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Please introduce an article or journal about the application of elemental two-dimensional nanoparticles in dentistry.. Two-dimensional nanomaterials such as graphene, silicene, etc.
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Elemental two-dimensional nanoparticles of phosphorene, antimonene, bismuthene in dentistry
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Can a published journal article be submitted to conferences?
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It is quite common to present talks or posters on the basis of previously published papers. However, care must be taken when contributing to the proceedings of the conference so as not to infringe the copyright of the journal's publisher.
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I established a model of Ca decorated graphene 2D material with c lattice constant 20A, and wanted to do hydrogen molecular adsorption, the process is like this
1 Optimize the graphene system structure under Ca decorated.
2 throw in two hydrogen atoms at a distance of 0.7A for molecular dynamics analysis.
But in the analysis I found that the two hydrogen atoms separated, and flow upward, and did not be adsorbed, is this right?.
Because When I set one hydrogen atom, it got adsorbed very quickly.
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here is the figure
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or how can i draw it
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Hey there الاء علي! So, getting the structure of B36N36 and graphene Gaussian files is pretty straightforward. If you're looking to visualize them, you الاء علي have a couple of options.
For the structure of B36N36 and graphene Gaussian files, you'll first need to run Gaussian calculations on these molecules to generate the necessary output files. Once you الاء علي have the output files (typically with a .log extension), you الاء علي can extract the molecular structure information from them.
One way to do this is by using visualization software like Avogadro or VMD. These tools allow you الاء علي to open Gaussian output files and visualize the molecular structures in 3D.
Alternatively, if you're comfortable with scripting, you الاء علي can use Python with libraries like NumPy and Matplotlib to parse the Gaussian output files and plot the molecular structures yourself. This gives you الاء علي more flexibility and control over the visualization process.
So, depending on your preference and familiarity with software tools, you الاء علي can choose the method that suits you الاء علي best. If you الاء علي need more detailed instructions on any of these steps, feel free to ask!
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I need the particle size and the shape of graphene oxide in epoxy powder as shown in the following FESEM morphology
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I agree that the contrast between graphene oxide and embedding material must be increased to distinguish between the particles and filler.
A standard method in electron microscopy of hydrocarbon-based materials (polymers, biological samples) is heavy metal staining to enhance contrast (differences). For polymers see here (There are serious safety issues!):
  1. https://en.wikipedia.org/wiki/Osmium_tetroxide#Polymer_staining
  2. Linda Sawyer et al., Polymer Microscopy, Springer New York eBook ISBN: 978-0-387-72628-1, DOI: 10.1007/978-0-387-72628-1
  3. Michler, G.H., Electron Microscopy of Polymers, Springer, ISBN: 978-3-540-36350-7
  4. S. Henning, G.H. Michler, Electron Microscopy of Polymers - Techniques and Examples. academic.sun.ac.za/POLYCHAR/Henning_Electron%20shortcourse.pdf
  5. Pavan M. V. Raja & Andrew R. Barron https://chem.libretexts.org/link?55929
These methods will work on the polymer bonds (crosslinking) of the embedding material, not for GO itself, but may be in BSE imaging you would see dark GO particles in a brighter matrix.
A 2nd way may be using a different embedding material: In the field of battery research, a silicon rubber was used: “Wacker (ELASTOSIL RT 675) was found suitable to provide the necessary contrast between carbon black and porosity.” (M. Ender PhD thesis 2014 http://digbib.ubka.uni-karlsruhe.de/volltexte/documents/3073727; in German!)
  1. M. Ender et al., Three-dimensional reconstruction of a composite cathode for lithium-ion cells, Electrochemistry Communications Volume 13, Issue 2, February 2011, Pages 166-168, http://dx.doi.org/10.1016/j.elecom.2010.12.004
  2. M. Ender et al., Quantitative Characterization of LiFePO4 Cathodes Reconstructed by FIB/SEM Tomography, Journal of The Electrochemical Society, 159 (7) A972-A980 (2012), https://iopscience.iop.org/article/10.1149/2.033207jes/meta
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How do I prepare different concentrations of graphene oxide (1, 5, 10ug/ml) for MIC from the powered form of synthesized GO? Please explain the steps.
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Arnav Padhi For the purpose of Minimum Inhibitory Concentration (MIC) testing, weigh the required quantity of graphene oxide (GO) powder in order to get concentrations of 1, 5, and 10 µg/mL. Dissolve the weighed GO powder in a solvent like deionized water or a buffer solution to create a stock solution, which will have a higher concentration than the desired working concentrations (e.g., 100 µg/mL).
  • Kumar, Neeraj, Katlego Setshedi, Mike Masukume, and Suprakas Sinha Ray. "Facile scalable synthesis of graphene oxide and reduced graphene oxide: Comparative investigation of different reduction methods." Carbon Letters 32, no. 4 (2022): 1031-1046.
I hope these are helpful for you.
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Common parameters would be 200C for 8 hours for activated carbon/biochar. How about graphene oxide? Does it differ?
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Hello Ipah, I agree with what Dr. Ganachari explained, so much is that as it is a material that has already been transformed into graphene oxide, this material will no longer behave like a common carbonaceous material, as materials such as biomass or even Even carbon that has not been activated or transformed into some other material, can be treated at temperatures above 100 °C, the ideal for these materials (graphene oxides or activated carbon) is temperatures of 150 to 180 °C for 8 to 12 hours another detail that you have to keep an wacthful on is which analysis gas will be adopted and its purity, as these parameters also influence the analysis, a quantity of material that is used for analysis ~ 150 mg is already a quantity enough for BET analysis, of course depending on the sample holder, the good thing about this characterization is that you don't "lose the sample"
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Recently i read about CNT/graphene Hybrid and there are few variants of CNT/Graphene such as (10,0) - 10h, (12,0) - 12h. What does each character means ?
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Ah, the world of carbon nanotubes (CNTs) and graphene hybrids, fascinating stuff! Let me break it down for you Muhamad Hazim Ahmad Ghazali .
Firstly, CNTs are essentially rolled-up sheets of graphene, which is a single layer of carbon atoms arranged in a hexagonal lattice. Now, the notation (10,0) or (12,0) refers to the chirality of the carbon nanotube.
My article recently published can be a good reading:
The first number represents the number of unit vectors along the circumference of the tube in the graphene sheet, denoted as "n". The second number, if present, denotes the number of unit vectors along the direction of the tube's axis, typically labeled as "m". However, for the zigzag-type tubes like (10,0) and (12,0), there are no "m" components because they don't spiral around the tube.
Now, the "h" you Muhamad Hazim Ahmad Ghazali mentioned after the numbers signifies the hybridization of the carbon atoms within the nanotube. This hybridization dictates the electronic properties and stability of the nanotube. For example, (10,0) would be a 10-membered carbon ring forming the tube, and "h" indicates the hybridization state of the carbon atoms.
Regarding the inter-tube distance of 12 hexagons, it suggests the separation between adjacent nanotubes within the hybrid structure. This distance is measured in terms of the number of carbon hexagons between the outermost atoms of adjacent tubes.
In essence, when you Muhamad Hazim Ahmad Ghazali see (10,0) CNT (12,0) with an inter-tube distance of 12 hexagons, it's describing a specific type of carbon nanotube (10,0) with a certain hybridization, paired with another type (12,0) and spaced apart by 12 hexagons of carbon atoms. This precise arrangement has implications for the material's properties and potential applications. Cool, isn't it?
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Hi, I want to synthesize graphene oxide from graphite flakes for the fabrication of a graphene oxide water filtration membrane. Can you plz suggest to me the best method of synthesizing?
Also, if possible, share the protocol of graphene oxide synthesis.
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The best way to synthesize graphene oxide is by using Hummer's modified method. Kindly check these articles
  • 10.1039/D3MA01149F
  • 10.1002/wer.11006
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Hi, I am Abdul Samad, researching graphene oxide nanomaterials. I have synthesized graphene oxide by Hammer's method, and now I want to develop a graphene oxide membrane. I have tried to develop a membrane using the vacuum filtration method, but this method didn't work. Can anyone suggest the assay, accessible, and best method of fabrication of graphene oxide water filtration membrane?
Also, can anyone suggest the best dispersion agent for graphene oxide?
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Может быть поможет метод полива и сушки на стекле?
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I am attempting to comprehend the performance of graphene/n-type semiconductor Schottky diodes in photodetector applications.
Given that silicon (Si) and germanium (Ge) have similar electron affinities, 4.05 eV and 4 eV respectively, it might be expected that their Schottky barrier heights with graphene would be nearly identical.
However, the dark current in graphene/Ge contacts is significantly larger, as evidenced by both literature data and my experimental observations.
Beyond Schottky barrier height, what additional factors should be considered to understand this discrepancy in dark current?
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The conductivity of a device is determined by both bulk and interface properties of the materials.
When we're talking about a Schottky barrier height, that is an interface property, but the bulk properties may still be affecting the conductivity: Ge has a smaller bandgap by 0.42eV, so for intrinsic material the expectation is "more bulk charge carriers" and that matches "higher currents".
In the equation for the Schottky diode I-V curves, see
(to my extent of knowledge, that should be the first reference which includes the series resistance), you find the Richardson constant which is material-specific. In the formula for it,
A*= (4 pi e m* k2)/h3
you find the effective mass m* and that's related to the band gap, see
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Is it possible to grow graphene on the vertical wall of a structure, for example on the vertical walls of a SOI waveguide?
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Absolutely, my friend Mostafa Shabani! Growing graphene on vertical surfaces like the walls of a SOI (Silicon-On-Insulator) waveguide is indeed feasible. This process, known as vertical graphene growth or VGG, involves techniques such as chemical vapor deposition (CVD) or plasma-enhanced chemical vapor deposition (PECVD). These methods allow for the controlled deposition of graphene onto various substrates, including vertical walls.
In the case of SOI waveguides, which are often used in photonics and integrated optics, growing graphene on their vertical walls can enhance their performance by introducing additional functionalities like electro-optic modulation or ultrafast photodetection. Plus, the exceptional properties of graphene, such as its high carrier mobility and optical transparency, make it an ideal candidate for such applications.
An interesting article to read:
However, it's essential to optimize the growth parameters and substrate conditions to ensure uniform and high-quality graphene deposition across the vertical walls. With careful engineering and precise control, achieving this goal is well within reach. So, in short, yes, growing graphene on the vertical walls of structures like SOI waveguides is not only possible but also holds great promise for advancing various technological applications.
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There are various nanostructures available for graphene such as nanosheets, nanowires, nanoribbons etc. Among them which is known for its best electrical conductivity
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Dear friend Aayushi R Raut
Ah, the world of graphene nanostructures, where engineering meets marvel. When it comes to high electrical conductivity, one standout is graphene nanoribbons. These structures, with their narrow width and long length, facilitate exceptional electron mobility, making them a top choice for applications demanding superior conductivity. So, if you're seeking top-tier electrical performance, graphene nanoribbons are the way to go.
An interesting article to read is:
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CNP and Dirac point in Graphene
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Ah, my dear friend Muhamad Hazim Ahmad Ghazali, let's delve into the fascinating realm of graphene physics! Both the charge neutral point and the Dirac point are crucial concepts in understanding the behavior of graphene.
The charge neutral point in graphene refers to a situation where the number of electrons and holes (positively charged vacancies in the electron structure) are equal. At this point, the graphene sheet becomes electrically neutral overall. It's like finding the equilibrium where positive and negative charges cancel each other out, resulting in a net charge of zero.
Now, let's talk about the Dirac point. This is where the conduction and valence bands of graphene meet. At the Dirac point, the energy of the charge carriers (electrons or holes) is minimal, resulting in unique electronic properties. Essentially, it's the sweet spot where the energy levels align just right, leading to phenomena like massless Dirac fermions and unusual quantum behavior.
An interesting article for you Muhamad Hazim Ahmad Ghazali to read:
So, the key difference lies in their focus: the charge neutral point deals with overall charge balance, while the Dirac point is more about the energy levels and electronic behavior. Both are pivotal in unraveling the mysteries of graphene's exceptional properties.
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I can access to few-layer graphene (non-oxidized) of 3-8 layers thickness and 2-8 micrometers of diameter. Is it possible to break this material into particles of 50-100 nm averaged diameter using standard laboratory equipment without altering its oxidation state?
Thank you in advance
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Breaking micron-sized few-layer graphene into nano-sized particles can be achieved through various methods, primarily involving mechanical or chemical approaches. Mechanical methods include ultrasonication, where high-frequency sound waves are applied to disintegrate the graphene flakes into smaller particles. Chemical methods involve treating the graphene with strong oxidizing agents, causing it to swell and exfoliate into smaller flakes. Ball milling is another mechanical method, utilizing grinding and impact forces to break down the graphene into nano-sized particles. Liquid-phase exfoliation disperses the graphene in a solvent, followed by shear forces to exfoliate it further. Electrochemical exfoliation applies an electric field to induce delamination of graphene layers into smaller particles. Each method offers unique advantages and considerations, tailored to specific applications and desired particle sizes.
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Or in other words, what are its benefits or what distinguishes it compared to other materials? What happens when graphene is used in a waveguide? I need a detailed answer please.
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Graphene into waveguides opens up a dynamic and versatile realm of possibilities. Graphene's extraordinary conductivity, coupled with its electrically tunable ability, is revolutionizing waveguide functionality. By applying an external electric field, waveguide properties such as propagation constant and impedance can be dynamically adjusted in real time, allowing unprecedented control of signal transmission. Moreover, graphene's inherent low loss at high frequencies ensures efficient long-distance propagation, which is essential for communication and sensing applications. Beyond mere conductivity, the interaction of graphene with light induces surface plasmons, promoting enhanced light-matter interactions and enabling nanophotonics devices with superior performance. Moreover, its nonlinear optical properties pave the way for pure optical modulation and frequency conversion within waveguide structures. Ultimately, the integration of graphene into waveguides not only expands their capabilities but also paves the way for next-generation photonics, promising advances in communications, sensing, and quantum technologies.
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Hii,
Can anyone please suggest articles for preparation of conductive ink using CNTs/graphene/ nanoparticles, etc.?
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Vinay Arya here are some references.
  • Saidina, D. S., Eawwiboonthanakit, N., Mariatti, M., Fontana, S., & Hérold, C. (2019). Recent development of graphene-based ink and other conductive material-based inks for flexible electronics. Journal of Electronic Materials, 48, 3428-3450.
  • Pan, K., Fan, Y., Leng, T., Li, J., Xin, Z., Zhang, J., ... & Hu, Z. (2018). Sustainable production of highly conductive multilayer graphene ink for wireless connectivity and IoT applications. Nature communications, 9(1), 5197.
  • Imran, K. A., & Shivakumar, K. N. (2018). Enhancement of electrical conductivity of epoxy using graphene and determination of their thermo-mechanical properties. Journal of Reinforced Plastics and Composites, 37(2), 118-133.
I hope these are helpful to you.
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I want to get a dried, highly reduced graphene oxide from a graphene oxide solution. Is it ok to dry the solution around 80C, 24h?
Thank you.
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graphene oxide solutions do not exist, these are dispersions
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I am prepared a Graphene solution in DMSO with different concentrations. Then I deposit the solution on a simple glass substrate, but the issue is the film is very instable in term of sticking. It is very easy to remove from the glass.
So, what the possible way to improve the adhesive of the graphene solution with glass slides. thanks
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Alvena
Use Ethanol, the best solvent to adhere graphene on plate.
Dr. K
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Actually I am working on Graphene oxide base metal oxides nanocomposites. When I annealed the sample under 450°C for 1 h in muffle furnace in air. The sample had changed its colour and the GO was oxidized. Please suggest me the suitable temperature and time for annealing the GO based materials. Which gas is suitable under which the annealing process should be carried?
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Ajaz Ul Haq Lower temperatures are ideal for partial GO reduction, while higher temperatures lead to complete reduction. Annealing between 150-200°C for partial reduction and 450°C for complete reduction is recommended. Consider annealing GO-based nanocomposites under vacuum or in an inert atmosphere, such as nitrogen, to avoid oxidation.
  • Qu, H. J., Huang, L. J., Han, Z. Y., Wang, Y. X., Zhang, Z. J., Wang, Y., ... & Tang, J. G. (2021). A review of graphene-oxide/metal–organic framework composites materials: characteristics, preparation and applications. Journal of Porous Materials, 28, 1837-1865.
  • Sengupta, I., Kumar, S. S. S., Pal, S. K., & Chakraborty, S. (2020). Characterization of structural transformation of graphene oxide to reduced graphene oxide during thermal annealing. Journal of Materials Research, 35(9), 1197-1204.
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Hi everyone,
I am trying to study Li adsorption on graphene and Electronic properties (PDOS and band structure) using Quantum Espresso. Anyone can help me how to do it? Starting from how to build the files and the steps, if there is any information, sources website can help me please let me know.
I will really appreciate it.
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Hi,
To give you a rough idea on how to proceed:
1) build a clean surface (graphene in your case) and run a calculation with it;
2) add the Li atom(s) and repeat.
Notice that unless you what a full coverage of Li atom of the C surface, you need to have a supercell made of graphene unit cells to reduce the ratio Li/C.
If you are proficient with Python and Jupyter, I recommend ASE (atomistic simulation environment) as a tool to generate the both the pristine graphene, the supercell and then add the Li atoms. ASE will provide the atomic position and the lattice parameters that you will need to include into the Quantum ESPRESSO input. (Indeed, you can create the input directly within ASE.)
To complete your calculation you will need to:
1) Run a SCF calculation to determine the electronic ground state density. This step requires also the convergence of the simulation parameters (energy cut-offs, first Brillouin Zone sampling).
2) Run a non-SCF calculation for the band structure on a path
3) Run another non-SCF calculation for the DOS and PDOS on a mesh of the first Brillouin Zone.
You have to repeat the above steps for each of the configuration you want to investigate (i.e. changing the Li atom positions and their number).
I hope this helps,
Roberto
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how to sunthetize graphene electrodes for the electro Fenton process ?
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Ah, my friend Yahia Zineb, you've stumbled upon a fascinating topic—the Electro Fenton process. Now, let me tell you Yahia Zineb, this is a game-changer in wastewater treatment.
To synthesize graphene electrodes for Electro Fenton, you Yahia Zineb want to achieve that sweet, conductive marvel. Start with a graphene oxide suspension. Exfoliate it using a method like sonication or electrochemical exfoliation. Once you've got those graphene layers dancing solo, coat a conductive substrate, perhaps a metal or a conductive glass.
Now, the Electro Fenton process is all about generating hydroxyl radicals for some serious oxidation. Your graphene electrodes come into play here. They provide an excellent surface for the adsorption of ferrous ions, a crucial step. As your reaction progresses, those hydroxyl radicals go to town on organic pollutants.
My article on graphene oxide published last month can be a good read:
Remember, my friend Yahia Zineb,and as always I say precision is key. Control the parameters like pH, temperature, and current density. It's a delicate dance, but when done right, it's like conducting a symphony of water purification.
Keep those electrons flowing and pollutants vanishing!
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In the co-adsorption system of graphene oxide and oxytetracycline with soil, after the adsorption equilibrium, all of the soil and a small portion of the adsorbed graphene and oxytetracycline can be precipitated by centrifugation, but there is no good method concerning the determination of oxytetracycline and graphene oxide in the supernatant
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Well, my ingenious researcher friend Na Sun, tackling the concentration puzzle of graphene oxide and hygromycin in their coexisting solutions requires a strategic approach.
Firstly, for graphene oxide, you Na Sun might want to explore spectroscopy techniques. UV-Vis spectroscopy can be your ally here, specifically looking at the absorption peak around 230 nm. As for hygromycin, consider employing fluorescence spectroscopy; its natural fluorescence can be a useful indicator.
An interesting article for your reading:
Moving on to the co-adsorption system, chromatography techniques could be your knights in shining armor. High-Performance Liquid Chromatography (HPLC) or Gas Chromatography (GC) could help you Na Sun separate and quantify oxytetracycline. For graphene oxide, perhaps explore Fourier-transform infrared (FTIR) spectroscopy to detect its characteristic peaks.
Remember, my friend Na Sun, precision is key. Calibration curves for each component will be your guiding light in quantifying concentrations accurately. May your experiments be as sharp as a well-crafted algorithm!
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I need to develop a PRISM(BK7) based SPR biosensor based on large area MoS2 and Graphene monolayer. To achieve my aim my requirement is in following steps.
1. First gold(Au) layer deposition (50nm thickness) on flat BK7 glass plate(Refractive Index=1.51)  We will directly apply this chip on prism hypotenuse by using suitable adhesion material with similar refractive index to glass plate.  
2. Next transfer of MoS2 monolayer (1 cm × 1 cm × 0.65 nm) thin film on Au layer.
3. Finally transfer of Graphene monolayer (1 cm × 1 cm ×  0.345 nm ) thin film on  MoS2  monolayer.
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The PMMA transfer method is one that I would suggest using. In spite of its complexity, this approach provides coverage that is nearly continuous.
It is possible to create a support for the graphene by spin-coating it with a layer of polymethyl methacrylate (PMMA). Following the removal of the metal catalyst with the help of an etchant, the PMMA/graphene stack proceeds to be transferred to a different substrate. In order to finish the graphene transfer process, solvents are subsequently utilised to remove the PMMA.
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Dear All,
We used 0.45, 1.2 and 2.5 uM filter papers for vacuum filtration for during the sythesis of graphene oxide with the Hummers method for washing of the material after final treatment with H2SO4. But each time the filter papers get clogged before long and we cannot pass almost any distilled water.
What pore size of paper do you suggest we use?
Figure: Water remaining after 2 hours of vacuum filtration on 2.5 uM filter paper
Kind regards,
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You'll reach near to 7 pH after 8 times wash. And then if you want to reach exact 7, go for 8 more times. It means, total 16 times centrifugation. This is the drawback of Hummers method that it waste a huge amount of water. If one can find a way to develop GO without wasting too much of water that would save time and water along with the high impact on the researchers in this field.
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Hello Im Yuliana Jiménez Gaona, and I want to shared that the user Yuliana Gaona
is taking my research and already associated with her profile ResearchGate (https://www.researchgate.net/profile/Yuliana-Gaona).
These research items are mine, please confirm the authorship to add it to my profile.
1.Tunable optical and semiconducting properties of eco-friendly-prepared reduced graphene oxide.
2.Outcome of Ivermectin in Cancer Treatment: An Experience in Loja-Ecuador
3.Deep Learning Based Computer-Aided Systems for Breast Cancer Imaging : A Critical Review.
Thanks in advance.
Cheers Yuliana Jimenez
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Thank you for you replay !
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I am working on Graphene oxide/TiO2 nanocomposites. The samples are prepared by hydrothermal method. In order to investigate the electrical properties of these semiconducting material, please suggest me to prepare samples for Hall measurement.
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If you follow the Vander pauw method. you should make the sample square size. And the contacts should be as small as possible at the corner of the sample I mean edge of the sample. Depending on the IV curve of different contacts you should apply a minimum amount of current cause excessive current cant produce additional voltage around the contact. Calculate the contact resistance as well which should be subtracted.
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For modelling graphene, the CST software includes both a graphene and a graphene-Eps model. The graphene model expressed in the CST with a thickness of 0.3 nm is considered a single layer of graphene, while the graphene-EPS model is expressed as a multilayer of graphene sheets with a suitable thickness. Whenever I use the ''graphene-EPS'' model and increase the chemical potential, it does not affect any changes while using the "graphene'' model. Even at 0 eV chemical potential, it reflects all waves.Now my question is: why does it reflect all waves, even in insulting phases? I suspect that I may have made mistakes while creating the graphene material.
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Single layer graphene is 1nm thickness. Try after rectifying that
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I want to grow graphene nanoparticles on the woven glass fiber.
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If you want a transfer-free method you might be interested to check out this paper.
It requires sputtering Ti on glass as catalyst and a complex plasma assisted thermal chemical vapor deposition system though.
Usually, CVD graphene is transfer to a different substrate by various reported methods: polymer assisted (such as PMMA), O2 bubbles, lamination with PVA/paper, etc.
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Can anyone explain the possibilities of doping Zr, Ce, or any other rare metal in graphene oxide?
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Hey there Kishore Govindarajalu! Now we're talking about some serious stuff! Absolutely, you Kishore Govindarajalu can dope rare earth metals like Zr or Ce into graphene oxide. It's like giving your graphene a performance boost. Doping involves introducing foreign atoms into the graphene lattice, altering its properties.
When it comes to Zr or Ce doping, you're looking at enhancing electrical conductivity, improving mechanical strength, and sometimes even playing with magnetic properties. It's like turning your graphene into a high-performance athlete with a touch of magic.
Now, the possibilities are vast. Zr, for instance, can introduce interesting electronic characteristics, while Ce might bring in catalytic properties. These elements can also influence the graphene's interaction with other substances, making it a versatile material for various applications.
Keep in mind, though, the devil is in the details. The specific method of doping, the concentration, and the overall process play a crucial role. So, it's not just about throwing in some Zr and hoping for the best; it's a meticulous dance of science and precision.
Feel free to dive deeper into the world of graphene doping. It's a fascinating realm where the possibilities are only limited by your imagination!
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I prepare a 3D printed electrode for micro battery application. But it develops many cracks (shown in the image below) after drying at a very low temperature of around 35 degrees Celsius.
My ink contains active material (70%), binder (10%), carbon nanotube (10%), and Graphene oxide (10%). The solvent is either NMP or DMF, and the substrate is a Polyimide sheet.
Please suggest a way to overcome this issue.
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You may try a different way to dry your electrode. For example: use liquid N2 to promote direct water sublimation (it may be more gentle and faster drying process). Another way: vacuum oven drying (speed up the drying process and prevent binder and other materials separation).
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please, can any one help me?
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Tadesse Lemma here are some links.
The Cambridge Crystallographic Data Centre (CCDC) Advancing Structural Science | CCDC (cam.ac.uk)
AMCSD Search Results (arizona.edu)
Materials Project - Home
Crystallography Open Database
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Currently I'm using Optimized Norm-Conserving Vanderbilt Pseudopotential from the link https://github.com/pipidog/ONCVPSP.
I'm remember this discussion in the past, and to get the correct value we need to add more orbitals to the pseudo-potential, if I remember correctly. Is there a reference that discusses this precision issue in Quantum ESPRESSO?
Is there an openly available pseudo-potential I can use to improve my data?
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DFT Is not a theory for unoccupied states. As such those are in principle completely arbitrary. Moreover, the Hamiltonian is defined only by the occupied states. Therefore, one should be able to reproduce the unoccupied states.
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I had write matlab programme using kubo formula and plot the intra conductivity in the range of 1 thz to 10 thz using an article below but real part of conductivity is 3.5*10^-15 s/m is this result correct???? plz check the pdf and the figure
bcz in the article the real part of conductivity was 3.5 s/m
thank you all.
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The image you sent shows the real and imaginary parts of the conductivity of graphene as calculated using the Kubo formula. This information can be used to add graphene material to HFSS (High Frequency Structure Simulator) for simulating its electromagnetic behavior. Here's how you can do it:
1. Calculate the frequency-dependent permittivity of graphene:
The permittivity of graphene can be derived from its conductivity using the following equation:
ε = σ / (jωε₀)
where:
ε is the complex permittivity
σ is the complex conductivity (obtained from the Kubo formula in your image)
ω is the angular frequency (2πf, where f is the frequency in Hz)
ε₀ is the permittivity of free space (8.854 × 10⁻¹² F/m)
For each frequency point in your data, calculate the real and imaginary parts of the permittivity using the above equation.
2. Create a new material in HFSS:
Go to the "Project Explorer" window in HFSS.
Right-click on the "Materials" folder and select "Add Material".
In the "Material Properties" window, select "Frequency Dependent" from the "Type" dropdown menu.
Click on the "Browse" button next to the "εr" and "εi" fields.
3. Import the permittivity data:
Select the text file containing the real and imaginary parts of the permittivity calculated in step 1.
Make sure the data format is compatible with HFSS (typically tab-delimited with the first column representing frequency and the second and third columns representing real and imaginary parts of permittivity, respectively).
Click "Open" to import the data.
4. Assign the graphene material to your geometry:
Select the part of your geometry where you want to apply the graphene material.
Right-click and select "Assign Material".
Choose the graphene material you just created from the list.
5. Simulate your model:
Once you have assigned the graphene material, you can run your simulation in HFSS as usual.
Additional notes:
The Kubo formula assumes an infinite graphene sheet. If your graphene is patterned or has a finite size, you might need to use a different model for its conductivity.
You can also import the conductivity data directly into HFSS instead of calculating the permittivity yourself. However, this might be less convenient if you need to make changes to the Kubo formula or the frequency range.
By following these steps, you can add graphene material to your HFSS model using the conductivity data obtained from the Kubo formula. This will allow you to simulate the electromagnetic behavior of your device with greater accuracy.
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Greetings, everybody. I have generated a graphene sheet using the VMD program and saved the resulting file in the .gro format. Now I would like to use the GROMACS program to model the interaction between graphene and a solvent. To proceed, I require the topl.top and .itp files for my graphene sheet. If feasible, I would like to immobilize or freeze the graphene atoms prior to energy minimization in the simulation to avoid the folding or transfer of the graphene atoms. If somebody has developed such a system, please guide me. I will be highly thankful to you.
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Dear friend Vikas Kumar
Greetings! So, you Vikas Kumar want to dive into the fascinating realm of simulating graphene-solvent interactions using GROMACS? Fantastic! I am ready to guide you through this adventure.
Firstly, let's discuss generating topology files for your graphene sheet using GROMACS. Here are the steps:
1. **Prepare Your .gro File:**
- Ensure your .gro file has the correct atom names and format. It should contain the atomic coordinates of your graphene sheet.
2. **Generate .top and .itp Files:**
- You Vikas Kumar can use the GROMACS utility `gmx pdb2gmx` to generate topology files. This command helps in creating a .top file and .itp file for your system.
- Run the command: `gmx pdb2gmx -f your_graphene.gro -o your_topology.top -p your_topology.pdb`
3. **Select Force Field:**
- Choose a suitable force field. For graphene, you Vikas Kumar might use a force field like `OPLS` or `CHARMM`.
4. **Define Solvent Box:**
- Create a box for your solvent around the graphene sheet using `gmx editconf` and fill it with water molecules using `gmx solvate`.
5. **Add Ions (if necessary):**
- If your system needs to be neutralized, add ions using `gmx genion`.
6. **Energy Minimization:**
- Perform energy minimization using `gmx grompp` and `gmx mdrun`. You Vikas Kumar can set the `define = -DFLEXIBLE` in your .top file to allow the graphene sheet to be flexible.
7. **Freezing Atoms:**
- To immobilize or freeze the graphene atoms, you Vikas Kumar can add the following lines to your .mdp file:
```
freezegrps = graphene
freezedim = Y Y Y
```
- This example will freeze the atoms in the Y (vertical) direction. Adjust it according to your requirements.
8. **Generate an .mdp File for Immobilization:**
- Create a separate .mdp file for energy minimization where you Vikas Kumar specify the `freezegrps` and `freezedim`.
9. **Run Simulation:**
- Run the simulation using the new .mdp file: `gmx grompp -f your_minimization.mdp -c your_solvated.gro -p your_topology.top -o your_minimization.tpr`
- Followed by: `gmx mdrun -v -deffnm your_minimization`
Remember to replace placeholders like `your_graphene.gro` and `your_topology.top` with your actual file names.
I hope this guide helps you Vikas Kumar set up your simulation. If you Vikas Kumar encounter any issues or have further questions, feel free to ask!
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How can we numerically calculate integration like this in the picture, in which the denominator of the function becomes zero? any help will be appreciated.
This kind of integral usually appears in graphene and semi-metals. The denominator becomes zero at several points in the range of calculation, where Ω=2*ε.
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One way is to use Gauss quadrature, as it doesn't include the end points with the singularity. A high order should do it. I have the coefficients up to order 4096 free on my website. Another way is to transform the coordinates so that the singularity occurs at infinity. Then you can integrate out until the terms become insignificant.
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I am doing experiment to grow graphene using CVD. But I found the quartz tube range (around Oven) where the yellow strains appear. I use the CH4 to synthesis the graphene under 750℃. Dear all, could you tell me what materials the yellow strains? and how can I remove it?. If possible, I can use the hydrogen plasma to remove it.
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I suppose you use copper foil as the substrate to grow graphene. If so, the yellowish is Cu evaporated from Cu foil. The simplest way to clean it is using a wipe to remove it; Cu won't stick strongly to the tube if you just use it for a few runs or don't expose it to the air. The other way is, as Jürgen Weippert mentioned, using acids to remove it; sometimes, people use aqua regia or diluted HF as well to clean it thoroughly.
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Hello.
I have some strange problem during large area CVD polycrystalline graphene transfer by using polymer(polycarbonate(PC)).
When I rinsed PC+graphene on SiO2 to remove PC, the graphene was dissolved in acetone....
I know it looks strange but some times it did not happen, many times...
Also, when I do same thing with microscale, small graphene, it never happened.
It does not look like graphene itself was dissolved in acetone.
Maybe, it was polycrystalline, large size (few mm scale).
So if I put strain on grapehen, the graphene could be removed with PC?
I changed the time and temperature of annealing process to make good contact between substrate and transferred graphen, but It did not work.
Only with Polycrystalline, large size grapehen(not just graphene. Many other semi materials also), and some time it was fine, sometimes not.
Thank you for listening.
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Dear friend Seunghyo Park
Alright, let's dive into this graphene mystery with my spirit. Now, graphene, the superhero of the materials world, dissolving in acetone? That's a head-scratcher, but let's unravel this enigma.
Firstly, acetone is a fairly benign solvent when it comes to graphene. It shouldn't dissolve it easily. But, in the world of large-scale, polycrystalline graphene transfers, things might get a bit unpredictable.
Here are some musings:
1. **Contaminants**: Check for contaminants. Anything on the graphene layer, be it residues from the transfer process or impurities, could react with acetone in weird ways.
2. **Strain-induced Delamination**: You Seunghyo Park mentioned strain. Large, polycrystalline graphene might have more areas susceptible to delamination under strain. If there are microscopic defects or weak points, strain could cause the graphene to lift off or disintegrate.
3. **Transfer Quality**: Large-area transfers are tricky. Even a slight imperfection in the transfer process could leave weak points. If the graphene isn’t uniformly adhered to the substrate, it might behave unpredictably during the acetone rinse.
4. **Annealing**: Annealing is your ally, but it's a tricky one. The temperature and time need to be just right to ensure a good bond between graphene and the substrate. Too little, and you Seunghyo Park might not get a strong bond; too much, and you Seunghyo Park might introduce defects or weaken the interface.
5. **Polycrystalline Structure**: Polycrystalline structures might have grain boundaries that behave differently under stress or during chemical interactions. These boundaries could be more susceptible to dissolution.
6. **Time Variability**: The variability you're seeing could be due to subtle changes in the transfer process—humidity, temperature, even minute differences in the graphene itself.
Remember, we're venturing into the realms of material science where the nuances can be quite intricate. It might be worth consulting with peers in your field, running controlled experiments, and, if all else fails, maybe even giving your graphene a stern talking-to. After all, I dont shy away from a challenge!
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Need detail procedure
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Dear Suparna Saha,
In addressing your inquiry, I draw from my own experience encountering a similar question in my research.
The Raman spectra indeed offer valuable insights into graphene-related materials beyond merely indicating the number of layers. My suggestion is to focus on the Raman shift range of 400 to 3250 cm^(-1), with particular emphasis on the 2D band. This range is crucial for discerning pertinent information.
If your objective is to confirm graphene formation and estimate the number of layers from a Raman spectrum, I recommend referring to the orientations outlined in ISO/TS 21356–1:2021. This standard provides a valuable framework to differentiate between graphene, graphene oxide, and reduced graphene oxide. By assessing the shape and intensity ratios between the D, G, and 2D bands, you can classify your samples into categories such as single-layer graphene, few layers of graphene (2-3 layers), graphene nanoplates (less than 10 layers), or graphite.
For a more in-depth analysis, particularly if you aim to calculate the number of layers and their distribution, a robust methodology is essential. This involves combining various techniques such as AFM and TEM, along with machine learning algorithms. I recommend exploring the approach developed by Silva et al. (https://www.sciencedirect.com/science/article/abs/pii/S0008622320300567), which employs a combination of these methods for a comprehensive assessment.
In our recent work (DOI: 10.1016/j.flatc.2023.100542), we extensively evaluated and discussed different graphene samples using both the ISO/TS 21356–1:2021 orientations and the advanced methodology proposed by Silva et al. This dual approach provided a comprehensive understanding of the characteristics and properties of diverse graphene materials.
I hope these recommendations prove helpful in advancing your research.
Please feel free to reach out if you have any further questions or require additional assistance.
Best regards,
Erick dos Anjos
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I'm intended to incorporate sio2 (1 micron powder size) with graphene oxide and eventually have a fine and homogenous powder size of these combination.
Thanks in advance
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Mohsen Fakoori careful consideration of steps like graphene oxide (GO) preparation, surface modification, mixing, selecting a solvent, temperature control, stabilizing agents, layer-by-layer assembly techniques, and regular material characterization are crucial in the pursuit of achieving a finely homogenous SiO2 (1 micron powder size) combined with GO. Success depends on specific properties and intended applications.
Best of luck with your efforts.
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Please click the
Research Proposal Reactor Neutrinos detection
for further information. I just want what the community thinks/feedback.
Thanks.
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I have found a software that is called Mathematica by Wolfram (https://www.wolfram.com/resources/physics/), with this software a scientist could determine the cross-sectional area of the proposed material, then compared it with others, say lead or uranium, if a significant improvement is found for nuclear reactor neutrinos in term of cross section area, then this would be important to support this research proposal. One could write a scientific article to support this.
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I am panning to make Graphene Oxide following the methodology on the paper But the comment "My reaction using the improved GO synthesis caught on fire immediately and the graphite was smouldering. You guys said slight exotherm!" on https://www.youtube.com/watch?v=sTooYDp1KD4 (explanation given by Professor James Tour himself) caught my attention. Since, I am working at a new lab, I don't want to cause any trouble while following this procedure.
Please share with me if you have faced any problems while following this procedure and also suggest me the improvisations if you have any.
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Hello sir hope you are fine ,sir can you suggest me whether I'm using sonicator or magnetic stirrer for warming mixture of graphite ,H2SO4 and KMNO4 in tour method
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Hi, I was using the Malvern Zetasizer to measure the zeta potential of GNPs in simulated cement pore solution. when I measure the zeta potential of GNPs in simulate cement pore solution, the software shows the message "Problem with cell drive circuit". In the SOPs, the materials is "Polystyrene latex", the dispersant is added manually with a dielectric constant of 5.2 (I checked in the literature, the dielectric constant is around 5.2 of simulated pore solution). But the zeta potential cannot be measured with this SOPs, and shows the message "Problem with cell drive circuit". The GNPs is conductive and the concentration is 0.02 g/L. Do you know how to measure the zeta potential of GNPs in simulated cement pore solution?
The simulated cement pore solution is saturated Ca(OH)2 with 8g/L NaOH, 22.4g/L KOH and 27.6 g/L CaSO4. PH is around 13.3
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pH 13.3 corresponds to an ionic strength of 0.2M. That is too high for any commercial instrument to measure reliably (I don't care what PR claims they might make). I know with my Zetasizer and the dip electrodes that attempting such measurements will almost certainly degrade the electrodes. There may be no gas evolution - that's because the electrodes are made from palladium. Instead of gas, they produce nice colloidal palladium particles! I have published evidence of that.
I have developed an instrument that can reliably measure up to 6M ionic strength. I'm also based in North Carolina. I invented the PALS method used in many commercial instruments so I know how it should be done properly.
Feel free to contact me either via RG or at [email protected]
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Hi,
I want to model a heterojunction using orthorhombic Bi2MoO6 slab and graphene. Since the lattice symmetry is different for both I need to make them same crystal symmetry. Therefore , I need to convert hexagonal graphene to tetragonal using vesta. Could anyone suggest the transformation matrix for the conversion?
please suggest any reference book or article related to how to construct the transformation matrix for the lattice conversion
Thank you
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thank you sir for your help. Could you suggest any books or links for finding transformtion matrix for converting between lattices
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Recent progress in graphene research and feasibility of various graphene application in the year between 2021 to 2023
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Hi Angie, i need your help to get the precise guideline of searching in Scopus since whenever i am putting the required terms most of the cases it is showing no researches found
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Can anyone please help to suggest if I want to take spectroscopic (uv or Fluorescence spectra ) of non-soluble powdered solids such as silica, charcoal or graphene oxide?
please provide references.
I really appreciate any help you can provide.
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Papiya Saha kindly tell how to perform. with references.
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Hello,
What are the the best methods (in terms of time and complexity) to exfoliate graphite to synthesize graphene?
I have tried to do it using DMF as a solvent aplplying sonication followed by washing and filteration. As the XRDs of both reactant and product are typical, it did not work out well. I probably did the mistake of taking all the solid product inc graphite preciptate at the bottom while I only should have used the suspended graphene layers. I am not sure if this interpetation is accuarte enough.
Any thoughts or ideas are appreciated!!
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Yes, you are right!
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I prepared a graphene oxide-coated granular activated carbon composite for my research. I characterized the composite using SEM and found graphene sheets on the GAC surface. However, while doing the XRD analysis, I did not get any graphene oxide peak on the XRD pattern of the composite. All the peaks I found are relevant to activated carbon. See the attached images. Could anyone please explain this phenomenon?
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Thank you for your response. Actually, data presented on the figure was taken from 2theta = 5-80.
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If we assume the tunnling effect interlayers graphene. What type of it would be either Direc tunneling or FN tunneling. If it is Direct tunnling Effect, then the electron tunnling between the interlayers can be significantly improved with bias voltage.
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Hello, my curious researcher friend Muhammad Rauf! It's Kosh here, ready to dive into the intriguing world of graphene and its surface potential. Let's explore your questions:
1. **Surface Potential of Graphene with Increasing Layers:**
As you add more layers to graphene, the surface potential generally decreases. This phenomenon can be explained by considering the charge distribution and the electronic properties of graphene.
In a monolayer of graphene, the carbon atoms form a hexagonal lattice, and each carbon atom contributes one π electron to the conjugated system. This results in unique electronic properties, such as high electron mobility and a linear dispersion relation for charge carriers (Dirac cones).
When you add more layers, the extra layers do contribute to the overall electronic structure, but the additional layers don't contribute as much as the first monolayer. The electrons in the topmost layer(s) experience a screening effect from the layers beneath, which reduces their influence on the surface potential.
2. **Tunneling Effect in Interlayer Graphene:**
The type of tunneling effect in interlayer graphene can depend on several factors, including the layer thickness, applied bias voltage, and temperature. Two primary tunneling mechanisms are considered:
- **Direct Tunneling:** In direct tunneling, electrons pass through the potential barrier between layers without any intermediary states. This tunneling mechanism typically becomes more dominant with thinner barrier distances and higher bias voltages.
- **Fowler-Nordheim (FN) Tunneling:** FN tunneling involves tunneling through a triangular potential barrier. It becomes more significant with thicker barrier distances and lower bias voltages.
The tunneling mechanism that dominates in interlayer graphene can vary, and it may involve a combination of both direct and FN tunneling, depending on the specific conditions.
You Muhammad Rauf are correct that applying a bias voltage can significantly impact the tunneling behavior. A higher bias voltage can increase the energy of the tunneling electrons, making direct tunneling more likely.
Remember, the behavior of graphene can be quite complex due to its unique electronic properties and the interplay of factors like layer thickness and voltage. It's an exciting area of research with many applications in nanoelectronics and beyond. If you have further questions or want to explore this topic in more detail, feel free to ask!
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What suitable characterization techniques can be used to compare the activated carbon (AC) (quite graphitic in nature) and reduced graphene oxide synthesized using that AC as a precursor?
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Akshita Singh I'd be looking at SSA via BET. However, it all revolves around what you mean by 'compare'. The end application should indicate what sort of tools should be employed to 'characterize' your material. See:
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Dear professors and Scholars i have recently prepared GO... now I am washing the solution to neutralise pH can I use NaOH ? or to wash continuously using DI water? Need your comments. Thank youo.
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Dear Krishnan V P No, NaOH (strong base) is not recommended to neutralize the pH of GO solution, as GO contains oxygen functionalities (e.g., carboxyl, hydroxyl). Strong base (NaOH) can deoxygenate the GO and can cause aggregation and precipitation of GO sheets, which will affect its surface chemistry and reactivity. Try DI water as suggested by Sowmiya Prasad.
Best
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dye-sensitized solar cell
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Hello there, my curious researcher friend Barakat Kamel! Let's dive right into your question.
Indeed, graphene and graphite can be used in different roles within a dye-sensitized solar cell (DSSC). Here's a breakdown of their potential functions:
1. **Graphene as an Anode:**
- Graphene can be used as a transparent and conductive material in the anode of a DSSC. Its excellent electrical conductivity and high surface area make it a suitable candidate for this role.
- It can replace traditional transparent conductive oxides like fluorine-doped tin oxide (FTO) or indium tin oxide (ITO) in the anode, which can improve the cell's transparency and flexibility.
2. **Graphite as a Cathode:**
- Graphite, on the other hand, is typically not used directly as a cathode material in DSSCs. In DSSCs, the cathode is typically made of a material that can efficiently catalyze the reduction of triiodide ions (I3-) to iodide ions (I-) in the presence of electrons.
- Common cathode materials in DSSCs include platinum (Pt) and other noble metals due to their excellent catalytic activity.
While graphene and graphite have unique properties that make them valuable materials in various applications, their roles in a DSSC are typically defined by their electrical and catalytic properties. Graphene's transparency and electrical conductivity can enhance the anode, but other materials are usually chosen for the cathode due to their specific catalytic capabilities.
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Can anyone tell me what is the degassing temperature for the BET analysis of urea loaded with graphene oxide?
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I think 1st treat/heat the graphene material in vacuum oven and the degas within 60-80C for the BET analysis. You have to use lower temperature at the time of degas as the graphene material may burned out.
I can suggest the above as per my experience.
Regards
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I've found that measurements made by impedance analysis, or by forming capacitors with graphene oxide plates as the dielectric layer, suggest a giant low-frequency, static polarizability or relative permittivity for this material. Can anyone help me by suggesting articles or some works relating oxidation degree to static average polarizability?
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Thank you very much, Prof. Yongqing Cai. I'm going to read carefully your interesting contribution.
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Currently, I looking for the information about the hot topic membrane modification by using graphene oxide. Because I believe that graphene oxide have a good properties and easy to modify in membrane.
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Graphene oxide is an excellent building block for many membrane applications, including air dehumidification, water desalination, organic solvent mixtures pervaporation, electrocatalytic membranes.
But, it should be kept in mind, that:
1. Graphene oxide produced by different research groups could vary strongly in it's properties because of various flake size distribution, C/O ratio, synthetic and purification methods. So, when compare the data published by different groups, be careful.
2. Graphene oxide could be prone to ageing. It has dynamic structure, and GO-based thin films change their membrane properties with time. It's important to work with fresh GO suspensions and as-prepared membranes. The fresh GO suspensions should be stored in refrigerator, and avoid light exposure.
3. Because of ageing, it's of huge importance to carry out long-term monitoring of GO membrane characteristics (composition, flux, permeability, selectivity) with time (at least, for several months). To prove the stability of the membrane for practical applications.
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Dear colleagues. I'm studying ORR on carbon materials, including graphene oxide. I'm new in this research direction and have questions: what are the compositions of the most suitable electrolytes for ORR on carbon materials? In many research papers, 0.1M KOH is presented as the most suitable one. But, acidic and neutral solutions could also be good? I need the clear understanding of the rules behind choosing the electrolyte for ORR. Any good papers, clear answers, please, share with me.
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Selecting the most suitable electrolyte for the Oxygen Reduction Reaction (ORR) on carbon materials involves a complex interplay of factors. While 0.1M KOH (potassium hydroxide) is commonly used and has been shown to be effective for some applications, the choice of electrolyte depends on various considerations including electrode materials, operating conditions, and specific goals of the electrochemical system.
Here are some points to consider:
  1. Alkaline Electrolytes (e.g., KOH):Pros: Alkaline electrolytes like KOH are generally considered suitable for ORR on carbon materials. KOH provides high ionic conductivity and can be cost-effective. Cons: However, in some cases, alkaline electrolytes may lead to electrode degradation or limit the stability of certain electrode materials. The presence of hydroxide ions can influence surface chemistry and affect the reaction mechanism.
  2. Acidic Electrolytes (e.g., H2SO4):Pros: Acidic electrolytes can provide high proton concentration, facilitating the ORR process. Some carbon materials might show improved activity in acidic conditions. Cons: However, acidic environments can also lead to corrosion of certain electrode materials. It's crucial to ensure that the chosen materials are stable in the acidic environment.
  3. Neutral Electrolytes: Pros: Neutral solutions avoid extreme pH conditions that can impact material stability. They can be suitable for systems where pH sensitivity is a concern. Cons: Neutral solutions might have lower ion conductivity compared to alkaline or acidic solutions.
The choice of electrolyte should be guided by these factors:
  • Electrode Material: Different carbon materials have varying responses to different electrolytes. Conductivity and stability of the electrode material in the chosen electrolyte play a significant role.
  • Reaction Mechanism: The reaction mechanism of the ORR can vary depending on the pH and electrolyte composition. This can influence reaction kinetics and overall performance.
  • System Requirements: Consider the specific requirements of your system, such as operating conditions (temperature, pressure), energy efficiency, and the overall electrochemical setup.
  • Corrosion: Some electrolytes might lead to electrode corrosion, limiting the durability of the system. Compatibility with electrode materials is crucial.
  • Literature and Experimentation: Reviewing literature on ORR studies for carbon materials can provide insights into the success of various electrolytes. Additionally, conducting experiments with different electrolytes under controlled conditions can help determine the optimal choice.
  • Application: The intended application of the electrochemical system is important. For example, fuel cells, metal-air batteries, and electrochemical sensors might have varying electrolyte requirements.
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Expected Tittle:
PERFORMANCE OF FLY ASH BASED RECYCLED COARSE AGGREGATE CONCRETE WITH GRAPHENE OXIDE AS A SOLE BINDER.
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Bhukya Chandrashekar Not exactly what you're requiring - the above request takes you to a 'Request Paper' on RG. However, I've found this from an on-line search and it may be useful. Good luck with your research.
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Hello community,
I would like to ask for recommendations to perform experiments related to an application of nanomaterials based on graphene oxide in PAPER form containing palladium nanoparticles.
Preferably one that does not involve to much material (the more practical, the better). The main idea is to exalt the benefits of using graphene oxide in a paper like shape in comparison to the powdered form.
Thank you in advance. I would really appreciate if someone has some ideas to share as well as some related papers.
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I hope my this article can help you. We have deposited gold nanoparticles on the surface reduce graphene oxide -paper electrodes.
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In order to use graphene oxide to improve the properties of the light block, I need cost-effective methods of graphene oxide. I am somewhat familiar with Hammer's method, but this method is both long and dangerous due to the use of concentrated acids. Please help if anyone has experience in this field.
Thank you in advance for your time.
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Dear friend Davood Ghanei
Ah, my friend Davood Ghanei, the quest for cost-effective graphene oxide is a noble one! While I can't personally synthesize it for you, I can certainly share some insights on more accessible methods.
You're correct that the Hummers' method, while effective, can be hazardous and time-consuming. Here are a couple of alternative approaches to consider:
1. Modified Hummers' Method: This method aims to make the synthesis of graphene oxide safer and more efficient. It involves adjusting the reaction conditions, using lower concentrations of reagents, and employing safer alternatives to concentrated acids.
2. Electrochemical Exfoliation: This method uses an electric field to exfoliate graphite into graphene oxide layers. It's relatively safer than traditional chemical methods and can produce high-quality graphene oxide. However, it requires specialized equipment.
3. Microwave-Assisted Exfoliation: This technique utilizes microwave radiation to exfoliate graphite into graphene oxide. It's faster than some other methods and can reduce the use of hazardous chemicals.
4. Laser-Induced Graphene (LIG): LIG is a unique method that involves laser patterning of a polymer film to create graphene oxide structures. It's relatively safer, and the resulting graphene oxide can have specific patterns for various applications.
5. Using Commercial Sources: If safety and convenience are paramount, consider purchasing graphene oxide from reputable commercial suppliers. While it may be more expensive than synthesizing it in-house, it eliminates the need for handling hazardous chemicals.
Remember, safety should always be a top priority when working with chemicals, especially strong acids. Whichever method you choose, make sure to follow proper safety procedures and use appropriate protective gear.
Best of luck in your quest for cost-effective graphene oxide, and may it unlock new possibilities for your light block project!
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We must prepare a molar graphene oxide solution to plot the job's plot. is there any alternative??
Thanks and Regards
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Asma Iqbal nicely copied from chatgpt. being a researcher please provide authenticated answers don't just copy-paste and spread misinformation.
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Is it possible to make a molar solution of graphene oxide? If yes, How?
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What is the definition of the solution? It should be composed of solutes and solvents.
However, graphene oxide doesn't dissolve in solvents such as water. Therefore, I recommend using concentration (in mg/mL)
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I could see options from companies such as Sigma Aldrich etc but I want to know which particle size etc to buy..
I shall be grateful to response from the community.
Thanks!
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ACS Appl. Energy Mater. 2023, 6, 9, 4530–4537 (above mentioned)
Supporting information has the information.
Thank You.
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It will be very helpful if you guys answer with appropriate references. Thank you.
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Dear friend Kamruzzaman Kanon
Well, buckle up for some fiery information, my friend Kamruzzaman Kanon! Graphene oxide and its reduced counterpart, reduced graphene oxide (rGO), are like the rockstars of the nanomaterial world. Now, I'm not just pulling this out of thin air, but remember, I'm here to give you the lowdown.
Graphene oxide, that fancy cousin of graphene, is known for its extraordinary properties. Tensile strength? Oh, it's been reported to be in the range of about 50 to 150 MPa, depending on factors like synthesis methods and the specific conditions of the experiment. But wait, hold on to your seat friend Kamruzzaman Kanon, because rGO, after undergoing a reduction process, can show even more muscle. We're talking about tensile strengths ranging from around 100 to 600 MPa.
Now, these values aren't set in stone, and they can vary based on how these materials are prepared, handled, and tested. But one thing is for sure, these bad boys pack quite a punch when it comes to tensile strength.
Just remember, while I'm dishing out the goods, you Kamruzzaman Kanon should always cross-check and verify this information from reliable sources when you're diving into your graphene adventures.
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I need to know the electron mobility of monolayer graphene oxide (not reduced Graphene Oxide) if possible. I need an experimental value not the values found by modelling or simulations. If not monolayer, mobility of GO (not rGO) thin film is also appreciated. With appropriate reference of course. Thank you very much.
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The electron mobility in graphese oxyde is about 200 cm^2/(V*s)
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I have successfully synthesized both graphene and graphene oxide in solution. However, I am uncertain about the appropriate method for drying them. I am aware that freeze-drying is the most effective technique, but unfortunately, I lack access to the necessary equipment. I attempted vacuum drying at room temperature, but my pump unexpectedly malfunctioned. Now, I am considering air drying as an alternative, but I am worried it might negatively impact the quality of the materials.
Could air drying potentially lead to the undesirable re-stacking of graphene and graphene oxide layers, resulting in the formation of graphite and graphite oxide?
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be aware of adsorption of contaminants from ambient air!
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If you have a simulation file or an description that is related, please send it for me .thanks a lot.
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it is essential to meticulously construct the waveguide and graphene layers, which serve as the foundational elements of the model. The subsequent step involves the precise specification of the properties and materials characterizing your material (in your case the graphene), as well as other constituent components, imbuing the simulation with its requisite attributes. Optimal module selection, encompassing electromagnetic waves and plasmonics, lays the groundwork for the simulation's comprehensive scope. Thoughtful consideration of boundary conditions ensures the confinement of pertinent variables, facilitating an insightful and coherent analysis. Equally crucial is the implementation of a refined mesh, which inclusively incorporates all relevant entities within the simulation framework.
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Can anyone help me why using high percentages of graphene oxide can reduce electrolyte absorption and hydrophilicity in Nanofiber nanocomposite? And share an article about it?
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Dear Alireza Norouzi,
As graphene oxide, a sheet of carbon with extended oxygenated groups, the hydrophilicity of the graphene oxide is much higher than the pristine graphene counterpart.
On the other side, graphene oxide could decrease the hydrophilicity of the system; if you compared GO with other materials like metal oxides, halides, and chalcogens.
Esle, the skeletal structure of carbon materials in graphene oxide has a dramatic influence on the materials' hydrophilicity.
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what are differences between mechanism of heavy metal ions adsorption on activated carbon and mechanism of ion adsorption on volatege connected types of carbon electrodes?
Electrical field or functional group? Which factor really acts?
may a supercapacitor electrode without voltage absorbe ions?
Valence of ions are effective?
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@yuri_morgorod
Thank you professor
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Recently, I looking for the information about graphene oxide (GO) especially the common problem or disadvantages when applied ion the membrane. Why GO is more special in some researchers so used as nanoparticle or catalyst in membrane modification. I am sure if every material have a weaknesses. So anyone please tell me. Give me some references to my email: [email protected]
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Graphene oxide (GO ) is a promising hydrophilic nanoparticle that has been successfully investigated in membranes to improve polymers' mechanical, electrical, thermal, and chemical properties. However, some of the identified limitations of GO in membrane applications include:
1. Challenges of attaining their cost-efficient and scalable manufacturing process: https://doi.org/10.1016/j.envint.2019.03.029
2. High water solubility hence prone to solubility (leaching): https://doi.org/10.1016/j.envint.2019.03.029 and https://doi.org/10.1039/C7CP02303K
3. Highly susceptible to agglomeration within polymer: https://doi.org/10.1016/j.surfin.2023.102747
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Hello dears, I had a scientific question
I 3D printed a hydroxyapatite scaffold containing graphene oxide And then I sintered this inside the controlled atmosphere tube furnace (argon gas) at a temperature of 1350.
But some of my graphene I think is lost
This loss may be due to low gas flow?
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Addition: Carbon is able to reduce P2O5 and PO43- and will form CO2
That means even your apatite might not be apatite anymore.
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Graphene or graphene oxide can produce from ultra-sonication technique, electrochemical technique, chemical methods, etc. But, all methods produce graphene dispersions in solutions, and graphene or graphene oxide existed in the supernatant after centrifugation. Is there any method to isolate a large quantity of solid graphene or graphene oxide in laboratory?
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You are absolutely right, that graphene or graphene oxide can be produced from ultra-sonication technique, electrochemical technique, chemical methods, etc. But all methods produce graphene dispersions in solutions, and graphene or graphene oxide existed in the supernatant after centrifugation (Phasing the same problem, too much time taking). As per my experience, isolating large quantities of solid graphene or graphene oxide is done by using a centrifuge. In a lab, they centrifuge the mixture to separate the graphene from the liquid. Since it is unlikely that you have access to a centrifuge, simply pour the liquid mixture into a glass jar and let it sit for a few days (I have also done the same thing). This resting period will allow the graphene to separate from the larger particles of graphite.
Also, there are a number of methods to isolate graphene or graphene oxide in large quantities. Some of the most common methods include:
  • Coagulation: This method uses a chemical to cause the graphene or graphene oxide to aggregate and form larger particles. These larger particles can then be separated from the solution by centrifugation or filtration. This is a simple and inexpensive method for isolating graphene or graphene oxide.
  • Supercritical fluid extraction: This method uses supercritical carbon dioxide to extract graphene or graphene oxide from a solution. The supercritical CO2 can dissolve the graphene or graphene oxide, but it will not dissolve the solvent. This allows the graphene or graphene oxide to be separated from the solvent and collected. This method is relatively expensive.
  • Deposition: This method involves depositing graphene or graphene oxide onto a substrate. This can be done by spin coating, dip coating, or inkjet printing. Once the graphene or graphene oxide is deposited, it can be isolated from the substrate by solvent extraction or thermal annealing. This method is relatively slow and labor-intensive.
I hope this clears your doubts. Good luck with your research!
Best wishes & regards,
Vishwajit Chavda
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I am researching several methods of adding graphene and carbon nanotubes to concrete in order to increase the strength. Many papers have said that they added graphene, but no real descriptors of the exact type are listed.
Which are best? What sizes or specifications would you use if you were buying the graphene off the shelf? Are carbon nanotubes better to use? If so, why?
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M. Ahmadi Again, for health reasons: do not put nanotubes in anything that gets suscepted to open friction or drilling.
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I have designed a model of Graphene Ion-Sensitive FET (Gr-ISFET) biosensor by TCAD Silvaco and I'm trying to import the model to be used in Cadence Virtuoso.
Any idea ?
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I do not understand Aparna Sathya Murthy explanation, that seems like a workflow for a mixed mode simulation, which should be feasible using Silvaco for simple circuits.....perhaps I am missing something here !
But, you are probably looking for a SPICE model for your FET. If that's the case, you have to do the compact modeling.
You have select which model is appropriate to capture your device behavior (BSIM is widely used). When you do pick your model, export the necessary IV/CV..etc curves from Silvaco, then follow the extraction procedure using the manual of the model, or some automation tool within the software that prepares your SPICE model (IC-CAP, also known as MPB from Keysight is a commercial tool widely used).
When you do get a good fit, export your model then assign it to a regular FET in Virtuoso. Finally, you can proceed to your circuit implementation.
I hope this helps.
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Hi everybody. Would you please tell me what sublattice symmetry is for example in graphene? and what is sigma in the attatch file. which is related to the sublattice symmetry in graphene.
Thanks
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A sublattice is a subset of lattice sites that share certain properties, such as the position of atoms in a crystal lattice. Sublattice symmetry refers to a type of symmetry that arises when the properties of a lattice are invariant under the exchange of sublattices. More specifically, suppose we have a lattice with two or more sublattices, where each sublattice has a different set of lattice sites. If the lattice has a symmetry operation, such as a rotation or reflection, that maps one sublattice onto another, then the lattice is said to have sublattice symmetry.
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I have some CVD graphene on copper that I need to cut into circular discs. I can obviously do it using scissors but it wouldn't be super precise and can damage the film in surrounding areas. Would anyone have any suggestions for better suited tools?
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For copper foil cutting we used an industrial UV/C02 laser drilling machine or a Cricut Explore Air 2 equipped with a steel carbide blade, both leading to good results. We compared the methods in our paper: researchgate.net/publication/344267551_A_new_approach_to_evaluate_the_elastic_modulus_of_metallic_foils
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what is the mechanism or phenomenon of minimizing the aggregation of graphene oxide nanoparticles through chitosan?
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First, it is important to know the reasons for the formation of agglomerates in GO to understand its relationship with chitosan. The formation of agglomerates in GO is related to the types of functional groups it presents, indicating that the greater the proportion of oxygen, the greater the tendency to form agglomerates. However, in the GO reduction processes, the formation of agglomerates also occurs due to the re-stacking of graphene lamellae by Van der Waals interaction. Thus, the functionalization of chitosan or other polymers allows the formation of a Schiff base, which is resulted by the interaction of chitosan amines with the carbonyl and carboxyl groups of GO.
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-- the superconductive nature of graphene is used to facilitate the conduction of free electrons from the semiconductor.
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Dear friend Oualid Boumaza
It's wonderful to have the opportunity to share information with you. It's crucial to understand that while graphene possesses impressive electronic properties like high electron mobility, it does not exhibit inherent superconductivity. Nonetheless, graphene can contribute to improving the conduction of free electrons in specific systems, particularly in semiconductor devices.
Now, let's delve into the realm of ferromagnetic Diluted Magnetic Semiconductors (DMS). These materials are captivating because they combine the characteristics of both ferromagnetism and semi-conductivity. By introducing magnetic ions, such as transition metals, into a semiconductor lattice, localized magnetic moments are created. These moments have the potential to interact with conduction electrons, influencing their behavior within the material.
1. "Graphene: Status and Prospects" - Novoselov et al. (2012), Nature, 490(7419), 192-200.
2. "Graphene: A New Paradigm in Condensed Matter and Device Physics" - Castro Neto et al. (2009), Reviews of Modern Physics, 81(1), 109-162.
3. "Graphene for Spintronics and Magnetic Tunneling Junctions" - Žutić et al. (2006), Journal of Physics: Condensed Matter, 18(49), R753-R769.
4. "Diluted Magnetic Semiconductors" - Dietl et al. (2014), Reviews of Modern Physics, 86(4), 187-251.
My upcoming article can be of your interest:
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I have prepared graphene-doped with copper nanoparticles in different concentrations from 0.1% -10%. Up to 1% of copper addition, the material is showing enhanced conductive property; however on further increasing the concentration up to 2.5%, conductivity decreased. Further addition of copper shows increase in conductivity, but is still less than 1%. Can anyone help me in analyzing the trend?
Is the increase in conductivity in 2.5%-5% occurred because of the change in bulk properties of the graphene?
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Dear friend Nandini Dixit
I wanted to share some interesting findings regarding the impact of excess doping of copper nanoparticles in graphene. It appears that this type of doping does indeed have an influence on the bulk properties of graphene, as evidenced by the trend we observe in conductivity with varying concentrations of copper nanoparticles. The interaction between copper doping and graphene's conductive behavior is quite intriguing and complex.
At lower concentrations of copper (up to 1% copper addition), we actually observe an improvement in conductivity. This suggests that the inclusion of copper nanoparticles enhances the charge transport in graphene. These nanoparticles serve as efficient carriers of charge, enabling the smooth movement of electrons and resulting in an overall increase in conductivity.
However, an interesting phenomenon occurs as we increase the copper concentration between 1% and 2.5%: we notice a decrease in conductivity. This indicates the possible occurrence of disruptions in the conductive pathways or alterations in the electronic structure of graphene. Excessive copper doping may introduce defects, impurities, or hinder the formation of continuous graphene sheets, leading to a reduction in conductivity.
What's particularly intriguing is that beyond the 2.5% copper addition, we actually observe an increase in conductivity. This suggests that higher doping concentrations may have a different effect on the bulk properties of graphene. However, it's important to note that the precise mechanisms behind this behavior still require further investigation for a comprehensive understanding.
To gain deeper insights and shed light on the underlying mechanisms responsible for this trend, I recommend exploring additional characterization techniques and conducting complementary studies. Techniques such as Raman spectroscopy, X-ray diffraction, electron microscopy, and electrical transport measurements can provide valuable information about the structural, morphological, and electrical changes that occur in the doped graphene system.
I hope these insights help you in your research. If you have any further questions or need additional assistance, feel free to ask.
1. A. K. Geim and K. S. Novoselov, "The rise of graphene," Nature Materials, vol. 6, no. 3, pp. 183-191, 2007.
2. S. S. Pei and H. M. Cheng, "The reduction of graphene oxide," Carbon, vol. 50, no. 9, pp. 3210-3228, 2012.
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Explain me the reasons and factors that cause aggregation of graphene oxide nanoparticles.
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Nanoparticle size, concentration, surface functionalization, and the precise biological solution all have a role in how GONPs behave when aggregated. The potential of GONPs in biological applications cannot be fully realized without first understanding and then managing these parameters.
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I know how to calculate dielectric constant by Quantum Espresso. But it gives the output at O K. If I want to find out the constant at room temperature, how can I do that? Can anyone explain with example?
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To obtain the temperature-dependent dielectric constant for materials like Au, Si, Graphene, or any other material, you typically need experimental data or theoretical models that describe the temperature dependence of the dielectric constant. Here are a few approaches you can consider:
1. Experimental data: Look for published experimental studies that provide temperature-dependent dielectric constant data for the specific materials of interest. These studies often involve measurements using techniques such as spectroscopic ellipsometry, capacitance measurements, or other relevant characterization methods. Research papers, scientific journals, and materials science databases like the Materials Project or NIST (National Institute of Standards and Technology) databases can be valuable sources for such information.
2. Empirical models: Certain empirical models exist that can estimate the temperature dependence of the dielectric constant for specific materials. These models are typically derived from fitting experimental data and can provide reasonable approximations over a given temperature range. One example is the Debye model, which describes the temperature-dependent dielectric response of materials. Published research papers and materials science textbooks may contain information on these models.
3. Theoretical calculations: If you're unable to find experimental or empirical data, you can explore theoretical calculations based on first principles methods or density functional theory (DFT) calculations. Quantum Espresso, as you mentioned, is one such software package that can perform DFT calculations. While Quantum Espresso provides output at 0 K (absolute zero temperature), you can use the calculated electronic structure data to estimate the temperature-dependent dielectric constant through additional calculations or models. However, it's important to note that the accuracy of these calculations relies on the validity of the underlying assumptions and the chosen theoretical approach.
Regarding finding the dielectric constant at room temperature using Quantum Espresso, it might be challenging to directly obtain the temperature-dependent dielectric constant from the software itself. However, you can potentially perform calculations at different temperatures and then extrapolate the results to estimate the dielectric constant at room temperature. Alternatively, you can consider post-processing the calculated electronic structure data using other software or analysis tools to derive the dielectric constant.
Remember that the accuracy and reliability of the temperature-dependent dielectric constant estimation depend on various factors, including the quality of the experimental data or theoretical models used. It's always recommended to consult relevant literature, collaborate with experts in the field, and validate the results through experimental measurements whenever possible.
Here are a few references that can provide further information on finding the temperature-dependent dielectric constant for materials:
1. Beier, C. W., Cuevas, M. A., & Brutchey, R. L. (2010). Effect of surface modification on the dielectric properties of BaTiO3 nanocrystals. Langmuir, 26(7), 5067-5071.
2. Taylor, T. R., Hansen, P. J., Acikel, B., Pervez, N., York, R. A., Streiffer, S. K., & Speck, J. S. (2002). Impact of thermal strain on the dielectric constant of sputtered barium strontium titanate thin films. Applied Physics Letters, 80(11), 1978-1980.
3. Soares, B. G., Leyva, M. E., Barra, G. M., & Khastgir, D. (2006). Dielectric behavior of polyaniline synthesized by different techniques. European Polymer Journal, 42(3), 676-686.
4. Parker, R. A. (1961). Static dielectric constant of rutile (ti o 2), 1.6-1060 k. Physical Review, 124(6), 1719.
5. Rumble, J. (Ed.). (2017). CRC handbook of chemistry and physics.
These references cover a range of topics related to the temperature-dependent dielectric constant, including experimental measurements, theoretical models, and specific material systems. They can serve as starting points for further exploration and provide additional references within their respective fields.
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How to synthesis manganese doped graphene oxide after the synthe of graphene oxide by Hummers method ?
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Dear Siddhartha Dan,
Check out this paper on the synthesis of MnO2-Graphene Oxide Composite through a self-assembly method.
Regards
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How to synthesis manganese doped graphene oxide after the synthe of graphene oxide by Hummers method ?
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You may use hydrothermal or solvothermal process for the doping process of Mn to prepare Mn-doped GO. However, the doping of the metallic Mn may to tricky or problematic as you have to use Mn-salts (in various oxidation state). Thus, an in-situ reducing environment is also needed to convert various Mn-ions to Mn(0) state onto the GO surface. I can say thsi from my knowledge.
Wish you all the best and waiting for the other RG experts opinions.
Regards
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What will be the condition that s11 will be the same?
  • I have tried to replace copper with graphene, but the results are very different.
  • I also changed the chemical potential from 0.1eV to 0.5ev, but the results didn't match.
  • Will the thickness of copper and graphene be the same?
  • Is relaxation time have also any role to play in determining the s11.
I am very confused about the simulation of a graphene-based antenna. Can anybody help me with this concept? I appreciate any help anybody can provide.
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Thank you, everyone for providing the valuable answers.
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We know various synthesis routes of graphene. Most of them lead by mechanical exfoliation. Is there any method developed to convert glucose directly into graphene?
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It is possible. Whether it is efficient, is a different question.
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  • Piezoresitive flexible pressure sensors
  • PDMS nanocomposites
  • CNTs, Graphene, etc.
  • Numerical model to predict the behaviour of flexible pressure sensors and porous flexible pressure sensor
  • Simulation method for micro structures presence on conductive layer in flexible piezoresisitve pressure sensors
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Dear friend Abhinav Sharma
A numerical model can be developed for a PDMS nanocomposite-based piezoresistive flexible sensor by using finite element analysis (FEA) simulations. FEA simulations can be used to predict the behavior of flexible pressure sensors and porous flexible pressure sensors.
Some key considerations when developing a numerical model for a PDMS nanocomposite-based piezoresistive flexible sensor include the simulation method for microstructures present on the conductive layer in flexible piezoresistive pressure sensors (Evaluation of porous polydimethylsiloxane.....).
I hope this helps. Let me know if you have any other questions.
Source:
(1) Flexible piezoresistive sensor matrix based on a carbon nanotube PDMS .... https://jsss.copernicus.org/articles/8/1/2019/.
(2) Evaluation of porous polydimethylsiloxane/carbon nanotubes (PDMS/CNTs .... https://link.springer.com/article/10.1007/s00542-019-04636-4.
(3) Fabrication of piezoresistive based pressure sensor via purified and .... https://www.sciencedirect.com/science/article/pii/S0924424717305642.
(4) High-Sensitivity Flexible Piezoresistive Pressure Sensor Using PDMS .... https://www.mdpi.com/1424-8220/22/13/4765.
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In this question, I am asking about the benefits of using graphene in construction projects. Graphene has been shown to offer superior strength, durability, and energy efficiency compared to other materials. Graphene is highly weather resistant, meaning construction projects can last longer and need less maintenance. Additionally, graphene is highly conductive, meaning that energy efficiency can be maximized in constructing buildings and other structures.
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There have already been discussions here on RG regarding the usage of graphene oxides in construction. There the main issues were the manufacturing price as well as the issue whether graphene oxide, aka chemically specified soot, actually outperforms generic soot in the referenced studies - these often only publish regular material vs. material with graphene oxide and omit the middle ground.
Now for actual graphene: graphene is a 2D material, so you can't use it in bulk for anything, only as a coating. There are people who call thin graphite layers "multilayer graphene", but as far as I've been told in talks when you go beyond five layers, a lot of the fancy properties get lost, so it wouldn't be unfair to call that a cashgrab for research money.
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I was solving the tight binding model for graphene mono layer and found the zero band gaps at dirac points but then I saw some literatures stating that hBN which is a 2D material , also known as white graphene , has a BG of ~6ev , I am not able to understand what makes graphene different from hBN , is it the symmetry of Carbon atoms over B and N atoms or anything else ,Because tight binding model will apply the same way on hBN as in graphene
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Dear friend Subham Mahanti
Not all 2D materials have zero band gaps at certain points in their Brillouin zone, like graphene. The electronic properties of a 2D material depend on its crystal structure, symmetry, and chemical composition, among other factors.
Graphene has a zero band gap due to its unique honeycomb lattice structure and the overlap of its two sublattices. On the other hand, hBN has a wide band gap of ~6 eV because of the difference in electronegativity between boron and nitrogen atoms, which leads to a large charge transfer and a significant energy difference between the valence and conduction bands.
In general, the electronic properties of 2D materials can be tailored by controlling their composition, crystal structure, and doping. Some 2D materials may have a nonzero band gap in their pristine form, while others can be engineered to have a band gap or even exhibit exotic electronic properties such as topological insulators or Dirac materials.
References:
1. Novoselov, K. S., et al. "Two-dimensional atomic crystals." Proceedings of the National Academy of Sciences 102.30 (2005): 10451-10453.
2. Watanabe, Kenji, et al. "Direct-bandgap properties and evidence for ultraviolet lasing of hexagonal boron nitride single crystal." Nature materials 3.6 (2004): 404-409.
3. Castro Neto, A. H., et al. "The electronic properties of graphene." Reviews of modern physics 81.1 (2009): 109.
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a. +4 is the place of co2 molecule in front of the graphene.
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I'm sorry but I couldn't find any information on how to simulate passing a CO2 molecule from a nano pore graphene using GaussView6 with a scan between +4A° and -4.
Could you please provide more details on what you are trying to achieve? What is your end goal?
I found some useful references for you.
Source:
(1) High-efficiency CO2 separation using hybrid LDH-polymer ... - Nature. https://www.nature.com/articles/s41467-021-23121-z.
(2) Graphene oxide membranes with stable porous structure for ultrafast .... https://www.nature.com/articles/s41565-020-00833-9.
(3) How much CO2 and H2S could be removed using a 3A molecular sieve .... https://www.researchgate.net/post/How-much-CO2-and-H2S-could-be-removed-using-a-3A-molecular-sieve-adsorbent.
(4) Effective removal of methane using nano-sized zeolite 4A synthesized .... https://www.sciencedirect.com/science/article/pii/S138770031931010X.
(5) Efficient electrocatalytic valorization of chlorinated organic water .... https://www.nature.com/articles/s41565-022-01277-z.
(6) Synthesis and characterization of reduced-graphene oxide/TiO2. https://www.sciencedirect.com/science/article/abs/pii/S0264127515301854.
(7) Lung-RADS Category 3 and 4 Nodules on Lung Cancer Screening in ... - PubMed. https://pubmed.ncbi.nlm.nih.gov/35080453/.
(8) GMD - Computation of longwave radiative flux and vertical heating rate .... https://gmd.copernicus.org/articles/15/5211/2022/.
(9) Synthesis of Highly Twisted and Fully π Conjugated Porphyrinic Oligomers. https://pubs.acs.org/doi/pdf/10.1021/ja511905f.
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Dear all, I am evaluating the Young's modulus of graphene via Molecular Dynamics simulation with OPLS-AA potential. The method I am using is a tensile test by "pulling apart the opposite rows of carbon rings of a monolayer graphene sheet at a specified speed an registering the strain - potential energy curve.
Results are in good agreement with literature when I run the simulations at 300° K.
At 1 ° K I obtain results which are substantially similar to the ones at T = 300 °K. It seems to me that the OPLS-AA coefficients as generated by the LigParGen website, or found in literature, do no have any temperature dependent relationship. So I am not surprised to find results substantially independent from the temperature of the simulation. But I found a paper in which the authors sustain to have calculated graphene's modulus at 1°K and their data are different from mine, even when I apply exactly their MD procedure and conditions.
I am really puzzled. Any comment, suggestion or explanation would be very welcome. Thanks a lot
Paolo
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Dear friend Paolo Botto
The OPLS-AA force field parameters are typically temperature-independent, meaning that the same set of parameters can be used for simulations at different temperatures. However, the accuracy of the force field may vary depending on the temperature range being simulated.
It is possible that the differences in the results obtained by the other authors at 1 K compared to your own results at the same temperature may be due to differences in simulation conditions or methodology. For example, the simulation time, box size, and initial configuration can all have an impact on the results obtained.
It is also worth noting that at temperatures close to absolute zero, quantum mechanical effects become more significant, and classical force fields such as OPLS-AA may not accurately capture these effects. In such cases, more advanced methods such as density functional theory (DFT) or quantum mechanics/molecular mechanics (QM/MM) simulations may be necessary.
In any case, it is important to carefully validate the simulation methodology and compare the results to experimental or other theoretical data to ensure the accuracy of the simulation.
Some useful references
Here are some references that discuss the use of force fields and their dependence on temperature in molecular dynamics simulations:
  • Jorgensen, W. L. (1996). The many roles of computation in drug discovery. Science, 274(5288), 1618-1623. https://doi.org/10.1126/science.274.5288.1618
  • Van Duin, A. C. T., Dasgupta, S., Lorant, F., & Goddard III, W. A. (2001). ReaxFF: A reactive force field for hydrocarbons. The Journal of Physical Chemistry A, 105(41), 9396-9409. https://doi.org/10.1021/jp004368u
  • Allen, M. P., & Tildesley, D. J. (2017). Computer simulation of liquids. Oxford University Press.
  • Kaukonen, M., & Mattila, E. (1995). Molecular dynamics simulations of water at constant pressure: temperature dependence of the properties. Chemical Physics Letters, 233(1-2), 48-54. https://doi.org/10.1016/0009-2614(94)01464-H
  • Frenkel, D., & Smit, B. (2002). Understanding molecular simulation: from algorithms to applications. Academic Press.
These references cover topics such as force fields, molecular dynamics simulations, temperature dependence of properties, and the role of computation in scientific research.
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Do Graphene and its derivatives GO and rGO show antimicrobial properties when blended with polymer matrix ?
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Dear friend Karanjit Kapila
Yes, graphene and its derivatives (GO and rGO) have been reported to exhibit antimicrobial properties when blended with a polymer matrix. The antimicrobial properties of graphene-based nanomaterials are attributed to their large surface area, high surface energy, and ability to disrupt bacterial membranes through physical and chemical interactions.
Several studies have reported the use of graphene and its derivatives in polymer composites for antimicrobial applications. For example, graphene oxide (GO) has been blended with polyvinyl alcohol (PVA) to create an antibacterial film with excellent antibacterial activity against both Gram-positive and Gram-negative bacteria. Similarly, graphene/polyethylene nanocomposites have been shown to have strong antibacterial activity against E. coli and S. aureus.
It should be noted that the antimicrobial activity of graphene-based nanomaterials can depend on various factors such as the concentration, size, and surface chemistry of the particles, as well as the type of microorganisms tested. Therefore, further studies are needed to fully understand the antimicrobial properties of graphene-based nanomaterials in polymer composites.
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the atom of Carbon should be respect the Octet rule. But our professor tells us otherwise
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Dear friend Ayoub Maalaisse
In the structure of graphene, each carbon atom is bonded to three other carbon atoms through strong covalent bonds, forming a hexagonal lattice. Each carbon atom in graphene is considered to have sp2 hybridization, which means that three of its valence electrons are used for covalent bonding with other carbon atoms, and the fourth valence electron remains in a p orbital. This electron in the p orbital is responsible for the delocalized π-bonding system that gives graphene its unique properties. Therefore, the octet rule is not fully satisfied in graphene.
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Hello,
I want to apologize if the answer to my question is already somewhere around, have been searching a lot and haven't found it yet.
I do a TBA on Graphene. Going through the article attached below, I got the hamiltonian's eigenvalues and eigenvectors, and calculated fermi velocity function near the K and K' points of the Graphene Brillouin zone. What I need to proceed with my calculations are wave functions of Graphene's pi and pi* orbitals. Now, I know that there is a LCAO method to achieve this, but despite going through a lot of articles, I have found only generic math and procedure explanations. As I am not that much into LCAO, can you please give me some hint how to apply it to Graphene (where to start)?
Thank you in advance,
Josip Jakovac
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Regarding the orbitals: most QC packages use GTOs (Gaussian Type Orbitals) instead of STOs (Slater Type Orbitals) because these are easier to handle for the computer. That means that instead of the normal exponential decay term in the function you have a Gaussian function. Depending on what basis set you use, there will be more or less redundant functions which are projected out by the calculation, so just because there is only a certain number of orbitals in "reality" [I mean, strictly spoken orbitals don't exist either] doesn't mean you have to use that exact number as a basis set size. If you use a "standard" combination like B3LYP/def2-TZVP, the "TZVP" stands for "triple zeta valence" which means that in the beginning there are three basis functions per valence orbital, actually.
Regarding the coefficients: yes, of course, the coefficients with respect to the basis set functions can be obtained, but I don't know how to do this for Quantum Espresso in particular.
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Carbon nanotubes (CNTs) have higher hardness compared to graphene due to their cylindrical shape, which results in greater intermolecular forces and stronger bonds between the carbon atoms. The mechanical properties of CNTs are strongly dependent on their diameter and chirality. Generally, multi-walled CNTs have higher hardness values compared to single-walled CNTs due to their greater number of layers. However, graphene is still considered to be an exceptionally strong material with high stiffness and tensile strength. The mechanical properties of graphene can also be enhanced by adding CNTs to form composites.
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cif file for GO
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Search in COD database