Science method
X-ray Diffraction - Science method
The scattering of x-rays by matter, especially crystals, with accompanying variation in intensity due to interference effects. Analysis of the crystal structure of materials is performed by passing x-rays through them and registering the diffraction image of the rays (CRYSTALLOGRAPHY, X-RAY). (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Questions related to X-ray Diffraction
hello
Is it possible to confirm the presence of defects using XRD analysis?
When I refined my XRD data by using GSAS software, the GOF value always came out at more than 4. My material is an O3-type layered transition metal oxide cathode material.
I would be extremely grateful if someone could help me find the following cards:
- CaZnOS PDF-01-072-3547
- SrZnOS PDF card # 041-0551
- BaZnOS PDF #17-1239
- Ba0.5Na0.5TiO3 - SrTiO3
Thanks a lot!
(101) and (10¯11) are the same plane for epsilon phase (HCP) of XRD peaks?
The above is the X-ray diffraction diagram from the iron nano sample that I synthesized from green tea extract. Could you please explain the characteristic peak at the 80-degree position?
A quick search on the powder diffraction pattern of amorphous carbon did not show me any pattern beyond 60° 2Theta @ CuKalpha. Any higher order peaks will be extremely low in intensity.
According to a compilation of Fe-C (BCC) (Liu Cheng, A. Boetttger, Th.H. de Keijser, E.J. Mittemeijer, Scripta metallurgica, 1990, 24, 509) lattice parameters shows that the lattice parameter changes from 2.8665A up to roughly 3.08A with increasing Carbon content (8 Atom% max). This change in the lattice parameter is sufficient to shift the Fe reflections down in 2Theta to values where the peaks in your pattern seem to be. See attached calculated powder diffraction pattern for a=3.05A and a sphere of 20 A diameter. With the relative intensities, I do not think that this explains your 80° 2Theta peak.
Check the composition of your sample, how much Fe is there compared to C? Can you prepare a pure carbon sample and run the powder pattern for this by itself. As there is a small peak at ~16° 2Theta I suspect that you have some organics/polymers in your sample that may introduce more order, thus increasing peaks at high 2Theta as well.
I guess you might produce (Fe,C) under very reducing conditions. The other magnetic Fe phase would be magnetite Fe3O4, peaks would be at much lower 2Theta.
Generally, run the powder pattern with at least twice the counting time to reduce the noise, as all peaks are broad you can double the step width without loosing too much information.
Gustavo Henrique de Magalhães Gomes All amorphous materials do show short range order between the first to (roughly) third/fourth neighbor atoms. These reasonable well defined interatomic distances most certainly produce at least a first, so called "first sharp diffraction" peak, even if this is commonly roughly 5 to 10° FWHM @CuKalpha. Check out the literature on "Glass" diffraction pattern as examples.
I am removing the Pb(II) from wastewater using copper nanoparticles. I have done FITIR and XRD analysis after the adsorption of Pb and there is clear change in the peaks in both FTIR and XRD.
In XRD 2 theta at 32.9 degree indicates formation of Pb-OH. Whereas the typical peaks of Cu2O diminished. What reaction could possibly has occurred? I am unable to conclude. Kindly guide me.
Also there's clear difference in the peaks some have shifted and doublet turned to single.
I will be grateful for your help.
I have prepared a glass sample and the XRD looks a bit different than normal. The peak is very low intense and it is shifted towards 10 degree. What could be the possible reason for that? How can I interpret the XRD?
The glass was produced at 2000 degree C instead of 1500 degree C. Could that be the reason?
Hello everyone, I'm a student conducting research. I synthesized pure TiO2 NRs under the same conditions, with identical temperature and duration for calcination. The only difference lies in the hydrothermal time; the blue line was synthesized with the shortest duration, while the red line represents the longest. However, I observed a peak shift in the XRD results. Could it be due to crystallite size or is there something wrong with my sample?
I recently conducted an AFM of metal oxides to get information about the size, shape, and arrangement of the grain. However, I couldn't find any grains in the obtained result (procedure for AFM image done by using Gwyddion software). This result brought me confusion, which could be due to analysis issues or possibly my incorrect interpretation. However, I have received the correct results of XRD, FTIR, and FE-SEM of the same material, which suggests that there is no issue with the synthesis method. Anyone who has experience with AFM will help me solve this issue. Thank you so much for the time.
I am struck with finding the reference source to plot and match my XRD data. Please can any one share me the file of above mentioned JCPDS Card no file/pdf
I recently conducted an AFM of metal oxides to get information about the size, shape, and arrangement of the grain. However, I couldn't find any grains in the obtained result (procedure for AFM image done by using Gwyddion software). This result brought me confusion, which could be due to analysis issues or possibly my incorrect interpretation. However, I have received the correct results of XRD, FTIR, and FE-SEM of the same material, which suggests that there is no issue with the synthesis method. Anyone who has experience with AFM will help me solve this issue. Thank you so much for the time.
Greetings
I've been searching for quite a while about Covalent organic framework (COF) and Porous organic polymer (POP) XRD pattern, how their xrd pattern should be and their differences.
But i could not find any specific findings.
some texts mentioned that COF xrd pattern should be sharp and pop should be broad. But ive seen so many COFs with broad PXRD pattern.
How can you distinguish between these two? How could you know that your product is POP or COF (etc. )?
Can somebody share their knowledge or mention a helpful Paper? Im so confused.
Thanks a lot.
Hi everyone!
I have done the lead adsorption studies and did the XRD of adsorbed nanocomposite. I observed new peaks in XRD diffractogram after the adsorption at 2 theta=33.01, 34.7, 37 and 40.2. I have searched the literature they are associated with PbO and Pb(OH)2 but not sure which one's are specifically for the one. Also unable to identify the miller indices.
I will thankful for your help.
I am trying to perform the quantitative analysis of minerals in my samples. I have the XRD raw data of my samples. I started Rietveld refinement in X'pert Highscore and Match!* software but there was an error showing in these two software.
I have attached the image which shows the error during Rietveld refinement.
Please help me, If there are any other method for quantitative analysis of mineral percentage.
I'm doing a XRD/XRF analysis for sandstone sample from a borehole, the sample is mixed with other materials from the drilling fluid like graphite and marble, all these material falling in range 20 - 150 microns, that makes it hard to get results from the analysis; so any ideas about how to remove the graphite and marble?
I characterized CuCdS with XRD, have plot the graph and i need JCPDS file to match the peaks.
While analyzing samples of monoclinic copper oxide using X-ray diffraction, we find two clear peaks in the XRD pattern that prove the nature of its structure type, but we cannot calculate the lattice constants (four unknowns). How to calculate the lattice constants for monoclinic copper oxide (CuO) from XRD (if there are fewer than four peaks)?
It depends on the Miller coefficients that you had in the X-Ray analysis. In all cases, the more peaks there are, the lower the error rate and the ease of calculation. See the following law.
appreciate it so much if someone could help me providing the card information!!
I tried to synthesise different morphologies by adjusting the ratio of DMF to methanol. When the DMF and ethanol ratios were 9:1 and 7:3, the XRD images of the samples showed a diffraction peak not belonging to MIL-125 at around 8°. When the DMF and ethanol ratios were 5:5, The XRD of the sample is completely different from MIL-125. I can't determine the composition of the sample.
Why is this happening?
What is the composition of a 5:5 sample？
I'd appreciate it if someone could respond.
Does anyone possess a pdf of CsPbBr3 card?
I need to check my XRD peak with reference peak.
Thank you.
济南大学周伟家课题组招聘1-2名博士后
一、济南大学招收博士后简介
济南大学前沿交叉科学研究院周伟家教授、逄金波副教授因课题需要，拟招收全职博士后1-2名，（注：博士后申请人科研成果特别突出者，可通过师资博士后身份入站，享受师资博士后出站后可直接入职济南大学待遇）。
研究方向
(1) 二维材料的可控制备、信息器件及柔性电子学应用（CVD方向）。
(2) 激光等外场作用二维材料改性及器件应用。
(3) 细菌检测传感芯片研发。
招收条件
(1) 近3年获得化学、化工、材料、微电子、应用物理或相近专业博士学位，或近期内能顺利完成博士论文答辩的应届博士毕业生；品学兼优，身体健康，年龄一般在35周岁以下。(2) 有较强的科研创新能力和团队协作精神；恪守科研道德和学术规范，学风正派、诚实守信。(3) 在二维材料制备与掺杂、光电器件制备与测试、忆阻器、激光加工、微电子超净间光刻与阵列器件构筑有一定研究经历者优先。
在站待遇
(1) 生活待遇：在站时间2年；按济南大学博士后管理规定，一般资助类博士后人员年薪18万元/年（税前）；
科研成果特别突出的优秀博士，可申报重点资助类或特别资助类博士后，年薪（税前）25万/年或35万/年;
另外，课题组根据博士后年度科研业绩，额外发放年终绩效。(2) 科研经费：学校提供一定科研经费。
课题组提供10-20万元科研经费。
(3) 国家及省级博新计划：
推荐申报山东省“博士后创新人才支持计划”，获批后待遇：（共2年，每年30万元为年综合薪酬，一次性20万元为博士后科研经费）。
推荐申报国家“博士后创新人才支持计划”，获批后待遇：（共2年，年综合薪酬每年28万元，另加一次性配套中国博士后科学基金科研资助经费8万元；在站18个月后，可申报博士后科研业绩评估考核资助10万元）。
(4) 其他支持条件：
全职博士后，站中可评副教授。
师资博士后，出站可直接入职。
更多优惠条件，以济南大学人力资源处、人才工作办公室最新公布的政策为准。
二、单位简介
(1) 济南大学前沿交叉科学研究院
济南大学是山东省人民政府和教育部共建的综合性大学、山东省重点建设大学、山东省高水平大学“冲一流”建设高校，具有学士、硕士、博士学位授予权。前沿交叉科学研究院是济南大学为了适应科研和教育的快速发展，推进国务院提出的世界一流大学和一流学科建设，于2016年投资筹建的具有鲜明学科交叉特色、适应国际前沿交叉科学研究趋势的研究机构。依托前沿交叉科学研究院已建成山东省生物诊疗技术与装备协同创新中心、分子诊断技术与装备山东省高等学校实验室等2个省部级科研平台。前沿交叉科学研究院将以学科交叉与学科融合为研究特色，以新型医药和现代能源核心技术为研发目标，在生物传感与再生医学、可再生能源转化高效利用和信息材料等相关领域开展基础和应用基础研究。以重大原始创新为驱动，以微纳传感、生命组织重建及纳米能源材料等重大核心技术突破及其在癌症早期诊断、组织修复、环境保护和新能源等领域的应用为牵引，带动和促进相关技术的转移转化与产业化，成为原始创新基地和高水平创新人才培养摇篮承担国家重大科研项目。研究院根据学科布局和研究目标，目前已设立微纳传感与组织工程、微纳能源材料与器件、信息材料与器件等研究方向，已建成微纳材料制备、微纳材料表征、环境与生物等研究平台，并将成立相关省级研究平台支撑交叉学科的建设。 前沿交叉科学研究院以国家杰青刘宏教授为首席科学家，借助“山东泰山学者”、“济南大学龙山学者”等主要人才计划支持，吸引和凝聚海内外一流的创新人才，建设一支高水平富有活力的国际化创新团队。学院通过在全球范围内广招贤士，汇聚不同专业的研究人才，在较短时间内建成具有国际影响的研究基地，形成了骨干成员20余名的高水平的交叉学科研究团队，团队成员的专业构成有材料学、化学、化工、能源、生物、物理微电子等，其中国家杰青、国家优青、泰山学者、山东省杰青、山东省优青等人才近20名。研究院已经建成了包括场发射扫描显微镜、XRD、共聚焦扫描显微镜、拉曼光谱仪等测试表征设备和各种沉积设备、材料制备设备及微加工设备等在内的高水平研究测试平台。研究院主页：https://iair.ujn.edu.cn/index.htm(2) 济南大学化学工程与技术博士后科研流动站
以国家科技进步奖获得者、国家杰青、国家优青、泰山学者等为学科带头人，拥有一批中青年学术骨干组成的高层次学科队伍，各专业均有学术带头人。学科拥有博士生导师14人，学科可供博士后研究人员使用的实验室面积20000余平方米，藏书量31余万册，期刊拥有量320余种，拥有国内外化工期刊数据库，具备了博士后研究人员所需的基本硬件及软件条件。在2020软科中国最好学科排名榜单中，本学科排名36。博士后流动站主页：http://rsc.ujn.edu.cn/info/1115/2329.htm
三、博士后导师简介
周伟家，济南大学前沿交叉科学研究院副院长，博士生导师，学术带头人。主要从事能源催化和功能器件相关研究，在氢能源、二氧化碳资源化和催化电池等方面取得一系列研究成果，以第一或通讯作者在Energy Environ. Sci, Angew. Chem. Int. Ed., Adv. Energy Mat.等期刊发表SCI收录论文100余篇，被他引15000余次，H因子60，中国百篇最具影响力国际学术论文1篇，ESI高被引用论文11篇；中国化学快报、物理化学学报、BMEmat、SusMat期刊的青年编委、交叉学科材料学术编辑和ECS Sensors Plus顾问编辑；授权发明专利16项。主持国家优秀青年基金、国家重点研发计划课题、山东省杰出青年基金、山东省泰山特聘学者，山东省重点研发计划等国家省部级项目12项。获得山东省青年科技奖（2022）、山东省自然科学一等奖（3/5，2019）和中国颗粒学会自然科学二等奖（1/5，2022）。个人主页：https://faculty.ujn.edu.cn/zhouweijia/
合作青年教师简介
逄金波，济南大学前沿交叉科学研究院副教授，硕士生导师，济南市科技成果转化研究会副会长。主要从事二维材料可控制备及信息器件相关研究，在晶圆级二维材料制备、光电器件阵列和柔性传感等方面取得一系列研究成果，以第一或通讯作者在ACS Nano, InfoMat, Adv. Energy Mater.和Nano-Micro Lett.等期刊发表SCI收录论文40余篇，被他引6000余次，H因子38， ESI高被引用论文8篇；信息材料InfoMat与信息科学InfoScience、能源电化学eScience、纳微快报Nano-Micro Lett.、纳米研究Nano Res.、探索Exploration、交叉脑科学Brain-X、仪器仪表学报Instrumentation、结构化学CJSC、化学化工前沿FCSE、钨科技Tungsten等期刊青年编委；Nature Electronics、Adv. Mater.、Angew. Chem.和ACS Nano等期刊审稿人；授权发明专利5项。主持国家自然科学基金（2018），山东省优秀青年基金（2023）和山东省自然科学基金（2019）等国家省部级项目3项。获得中国发明协会创新创业奖一等奖（2/6，2023）、中国产学研合作促进会2023 年产学研合作创新成果奖优秀奖（2/10，2024）和2023第十届山东省大学生科技创新大赛省二等奖首位指导教师（1/2，2023）。个人主页：https://faculty.ujn.edu.cn/pangjinbo/
四、博士后培养业绩
(1) 1名博士后在站期间，获得山东省博士后创新计划、国家自然科学基金和青年泰山学者等项目人才计划，留校担任教授、博士生导师；
3名博士后出站，留校，获得国家自然科学基金，担任硕士生导师、讲师，科研成果达到副教授聘任要求；
1名博士后出站，赴友校担任副教授、硕士生导师。
(2) 博士后多人次在Nature Commun.、ACS Energy Lett.、Nano Energy、Adv. Sci.等期刊发表第一作者论文。
五、联系方式
(1) 将个人简历（教育背景、工作经历、论文专利和获奖情况等）及支撑材料等打包成pdf（包含近5年代表性论文的首页pdf）。发送到邮箱： [email protected]和[email protected] (逄老师) 。
(2) 邮件主题为“济南大学博士后-姓名（例如张三）-博士研究方向”。
(3) 热情欢迎优秀博士们加入课题组，共同攻关交叉前沿，科研成就美好人生！
了解更多：
The Powder XRD pattern of a dinuclear metal complex does not match with the simulated single-crystal XRD pattern. What can be the reasons?
I need to perform Residual stress measurement by XRD using sin2 ψ method for SLM components, So what are the inputs (like sample size.....) I should give to the XRD operator, and what outputs I will get from there
Can someone (Those who did the experiment) explain this 🙏🏻🙏🏻, Your answer can help my research.
If possible I will send a direct message to the commentators, to ask more questions in this
Thanks in adavance 🙂
I have obtained XRD results for thin film in bulk mode, kindly suggest different methods to evaluate the residual stresses.
In spinel ferrite-type samples we can see this kind of cases.
In XRD analysis, when we move to a higher angle, like above 50 degrees, if I have two reference lines of different phases, one matches the peak and the other is towards the right of the peak with a deviation of 0.5 degrees. Which one should I consider?
Hello,
I was elaborating thin films from FeCl3 using a dip coater. These films were deposited on a glass sheet for 6 layers and then annealed at 500°C. However, XRD analysis did not yield any results or peaks! What could be the problems?
I think that the XRD for thin film also measured the grain size
What is the recommended scanning range in degrees (minimum and maximum angles) and the recommended step size for the X-ray diffraction analysis of a composite (XLPE with zinc oxide)?
Hello everyone
I have some problems to analysis the xrd results to get the corresponding 3D structure of my protein with x'pert high score plus.
Does enyone have valuable suggestions?
Thanks
In XRD, I think there is a significant relationship between the target and the filter here, and the target has one more proton than the filter, is this true or false? What is the reason in both cases?
As we know scherrer equation is limited to nano-scale crystallites, what are the other methods to calculate crystallite size if the size ranges above 100nm? Our obtained crystallites are above 100 nm. I have a pdf of XRD data of my sample, in which the sizes have been automatically measured. I want to know on basis of which method the XRD instrument calculated the size.
Any kind of help is highly appreciated.
I have deposited iron titanate thin films by electrodeposition at different molar concentration.
Q #1. In XRD pattern of as deposited I don't observe any intensity peak while after performing MF annealing at 300 degree Celcius, I observed intensity peaks. what's the basic reason behind this?
Q #2. At different molar concentration I observed different peaks except two peaks appeard on same plane. what will be main cause behind this?
Hello everyone
1. Please suggest a robust free software to analysis the XRD results to obtain the corresponding 3d structure of a protein.
2. Is the xrd diffractogram with only a single peak better than a diffractogram with multiple peaks or vice versa? And what are the reasons?
3. What does raw.file show after xrd analysis?
Thanks to all
I have a concern regarding readjusting the intensities value of xrd data. In one the discussion in this platform, (the link is here- https://www.researchgate.net/post/What_could_be_the_reason_for_not_having_further_low_chi_square_value_better_agreement_in_my_refinement_result) it is said that the intensities value height can be readjusted to get good chi square value even though all the peaks are very well matched but the Chi square value is not low. Is this authentically correct or are we manipulating the data by resizing the height of the xrd peaks which we get. If it is correct, then who decides up to what resizing amount should the intensities be done/changed so to get good Chi square value?
Dear all,
Three alloys cast in the same conditions and with equal dimensions were subjected to X-ray diffraction. Alloy 1 has dual-phase delta and gamma, but in alloys 2 and 3, with the increase of the chemical composition ratio, the fraction of the gamma phase decreases, but the delta phase increases. According to the attached image, the diffraction intensity of alloy 2 is significantly reduced compared to the other two alloys. With several times of surface exfoliation and repetition of diffraction, the results of alloy 2 also did not change.
Professors and researchers, please advise me on this problem, what factor can cause this unusual change and decrease in X-ray diffraction intensity?
- This is to know the orientation of the crystals in the peaks (hkl) in the (XRD) pattern.
For example we can find the main phases using XRD, but I wanna know how to find the dopants, sintering aids, etc.
i have some XRD data in which some samples shows around 47% iron Oxides content in the sandstone. which is confusing for me.
How to get JPDS [ XRD] reference to compare XRD patterns obtained for activated carbon prepared from agriculture waste ?
If yes how to prepare sample for it ? Should I place the hydrogel pellet under XRD ?
Hello, everyone! I would like to know whether there is a method to calculate the fraction of bcc, fcc and L12 phases in high-entropy alloys by XRD results, thank you very much!
Hello,
I wondered how the XRD peaks tell you the crystal's preferred orientation of the crystal. For example, if a crystal has only three peaks at (200), (400), and (600), how is it interpreted that the preferential growth direction is (100)? Also, does (100) mean that layer is stacking in an a-axis direction for a 2D material?
Thanks in advance!
We know the miler indices planes and d space values.
The X-ray powder diffraction (XRD) pattern below for a tetragonal crystal system,
Use the provided X-ray wavelength for Cu Kα radiation, which is 1.5406 Å. Note that the Miller indices h, k, and l < 3 and the 100 and 010 planes are not present in the peaks.
while synthezising MoS2, using ammonium molybdate i didn't get the main peak at 14 degree instead i got peak at 9.why?
Can the reasons for such an incident be detailed?
Can someone help me with XRD data for JCPDS Card No 1-077-2303
Dear Professor,
My name is Devanshu Dash and I'm a 4th-year (8th semester) Integrated M.Sc. Student at UM-DAE Centre for Excellence in Basic Sciences, Mumbai, India with a major in Biology. My institute is set up as a collaboration between the University of Mumbai and the Department of Atomic Energy, Government of India. Our mentor institutes include Indian Institute of Technology-Bombay (IIT-B), Tata Institute of Fundamental Research (TIFR) and Bhabha Atomic Research Centre (BARC). A majority of our faculty visiting us belong to these institutes. As a part of our 9th semester curriculum, we are required to do a Master's Thesis Project. The approximate duration of the project is from May to December 2024.
I have worked under Dr. V. K Jain at UM-DAE CEBS in the winter of 2023 (September-November). I am working on XRD of intermetallic compounds, mainly Cerium and Lanthanum compounds. I have already undergone two summer projects:-
List of projects
1) Preparation and XRD Characterization of compound CeCo2Al8 and LaCo2Al8 and analyzing its magnetic property
2) Preparation of silver nanoparticles and showing its antimicrobial properties by disc-diffusion method.
I am also known to Origin for making graphs and FPS for XRD Interpretation. I have a great interest in applications of material science.
I would be highly obliged if you would have me as an intern for doing my master's thesis project under your guidance. As a part of the project, I would like to enhance my knowledge and gain working experience and at the same time, contribute to your work based on my curiosity and knowledge gained through my current projects and courses. I am available for the project any time after May 14th and can work up to the beginning of December. I'm always open to interaction via Google meet or Zoom.
For your review, I have attached my Curriculum Vitae (CV) and Transcript. If there is any additional information that I have not included or reference that you would like, I would be happy to provide it to you.
Thank you for your time and consideration.
Regards,
Devanshu Dash,
Semester VIII,
School of Chemical Sciences,
UM-DAE CEBS
Related to nanomaterials characterization.
Is there any guideline/consideration of the minimum Crystallinity Index value (from XRD) for a synthesized crystalline iron oxide? Thank you
What is micro-strain ?
How does it calculate in X-ray Diffraction analysis?
Hi I have a polymer profile that has produced by extrusion process, I want to measure the residual stress along the transverse direction as far as I know XRD is not a good method for measuring residual stress of polymers and hole drilling is an expensive method for this purpose. can anybody offer me a method that is easily available and not an expensive method for this purpose?
I have attached the profile picture I want to measure the residual stress along the blue line.
Material is UPVC.
Thanks
XRD measurements revealed distinct peaks at 44.64, 65.04, 77.04, 78.16, and 81.24 for PVDF membrane. Despite an exhaustive review of the existing literature, no conclusive information pertaining to the association of these peaks with the alpha, beta, or gamma forms of PVDF could be located. Can anyone have an idea what these peaks are in the form of PVDF?
Does anyone know if it is possible to calculate amorphous phases in weight percent in a whole rock geological sample using Bruker Topas software?
I have a sample whole rock sample that has about 6 different crystalline minerals, but based on the background (hump), I can tell there is some amorphous material in the sample. When I calculate the mineral weight percent of the sample, the software only considers the 6 crystalline phases. Is there a way to calculate the amorphous content wt. % included with the other 6 crystalline phases?
Thank you in advance for your assistance.
Thank you so much for your responses. I really appreciate it. Based on all of your responses, there is no doubt that spiking the powder with a known amount is the best way to go, but unfortunately, the XRD scan I was working with was scanned years ago. Using the Topas tutorial document and with the help of one of Bruker's software engineers, we calculated the amorphous content when the sample was not spiked. I am putting images of the tutorial in case anyone is interested or it helps someone in the future.
I'm performing modified Williamson-Hall and Warren-Averbach analysis based on data from in situ synchrotron high-energy X-ray diffraction experiments. The materials include mainly various annealed and deformed steels. I noticed in many cases the sample peak widths are at the same level (sometimes even smaller) as the standard CeO2 or LaB6 peak widths. I wonder if anyone can help with why this is and how to remove the instrumental broadening in these cases.
I am working on modifying polymer membranes with surfactants to improve their pervaporation performance. I noticed that the glass transition temperature (Tg) of the membranes decreased as the permeation increased, indicating that the polymer became more rubbery. On the other hand, the X-ray diffraction (XRD) and positron annihilation lifetime spectroscopy (PALS) measurements showed that the free volume of the membranes decreased, suggesting that the polymer chains became more compact. I am wondering how these two phenomena are related and what is the role of the surfactant in this process. Does the surfactant act as a plasticizer or an antiplasticizer for the polymer? How does the surfactant affect the molecular interactions and chain mobility of the polymer? I would appreciate any insights or references on this topic. Thank you.
Can we quantify the ratio of the constituent materials in a composite using powder XRD? For example, in a composite of CuO/ZnO, can I find the amount of CuO and ZnO in the CuO/ZnO composite?
For my perovskite material I have got this XRD pattern (see the attachment). The baseline subtraction has already been done but still the prominent peaks are not arising from the baseline. I want to calculate crystalline size but I am not sure which peaks I should be taking into account. I try to calculate crystalline size from every peak and got vary large variations. Even if I exclude broader peaks, I get 5-10nm difference in D between prominent peaks. So please guide me in choosing in the peak(s) which must give accurate value of crystalline size D and microstrain.
Materials Project, Crystallography Open Database, Thin Film, XRD analysis, XPS Analysis.
Role of online data base for study electronic and optical properties of materials.
software available online for analyzing, XRD, XPS, RAMAN, and for understanding the effect of doping in any material.
In my study, all films were grown on the stibnite (polycrystalline) structure of Sb2S3. When I changed a parameter of a group of films, I observed that XRD peak intensities increased, while Raman peak intensities decreased. Although we repeated the analyses, we encountered the same results. What is the reason for the decrease in Raman peak intensities despite the increase in XRD peak intensities?
I found Mn3Cu3O8 and Cu1.4Mn1.6O4. They have identical XRD patterns, but the XRD patterns differ from Cu1.5Mn1.5O4 in the literature.
Is it mandatory that the grid box has to be localized specifically at the same exact site where the reported inhibitor binds to the receptor? Is there any relevance for carrying out blind docking for a new drug (ligand) against a protein when already the site of inhibitor and protein binding is known from experimental XRD structure.
After cabonization and activation, biomass cellulose were transformed to biochar. But when I collected the XRD specturm, a stranger peak at 10° appeared. how could explain this peak.
Hello,
Kindly what are the recommended methods or techniques for removing XRD impurities and how can one ensure accurate and reliable results ?
Thanks.
The peaks are not appear at appear in all the samples, it appear only at a particular concentration of my sintering aids.
I have XRD data of my synthesized hydroxyapatite (HA) and I want to compare it with standard HA peaks
The specimen is cut with Wire Electrical Discharge Machining (WEDM) and subsequently employed to assess preparation in residual stress. Is it necessary to include something for sample preparation in order to obtain the actual residual stress associated with a sample?
I have grown germanium film on glass coated with copper. deposited films were annealed at various temperatures. the FWHM decreases (indicating Crystal size increses) while intensity also decreases.
I am trying to analyze XRD data and calculate fwhm from the peaks through origin software. But I am getting an error message that fit did not converge and maximum iterations reached. Can anyone help me in this regard how can I solve the error.
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a soil sample taken from and pld abbey, the soil sample where taken from a room that have a blast-furnace in it, while an x-ray fluorescence gave a concentration of 1.5% of fluor, and an analysis of x-ray diffraction gave rise to the fluorapatite species, so my question how can we explain or how can we demonstrate the formation of fluorapatite in the soil sample
Hello,
I have been reading through literature regarding the exfoliation of VDW materials to produce 2D materials. and what I have noticed is that for some materials XRD diffractograms showed a decrease in peak intensity after exfoliation, which can be explained by decrease in thickness. However, for some materials the corresponding XRD diffractograms showed no significant decrease in peak intensity. Is there any explanation for this trend? and would it be better always to investigate the successful exfoliation through Atomic Force Microscopy and TEM?
thank you.
I prepared SnS films by chemical bath deposition method. I need the ICDD card number of SnS cubic crystal structure to analysis of XRD patterns of films.
In majority of studies, the curie temperature of pure PVDF has not been explored. The studies which are available they have worked on PVDF copolymers to study the curie temperature via dielectric measurements, DSC or XRD. What is the reason behind this?
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how can I match the XRD data of Polyaniline for getting structural information using Xpert Highscore ? While attempting for the same I am getting "no candidate found" as output.
Thrilled to share the outcomes of our recent research project where we delved into the synthesis and characterization of M-type lanthanum-substituted strontium cobalt hexaferrites (Sr0.5Co0.5LaxFe12-xO19). Our team employed a meticulous simple heat treatment method, strategically varying the lanthanum content (x = 0.0, 0.05, 0.15, and 0.2), and explored two calcination temperatures (950 °C and 1050 °C) to understand their impact on the material's structure and magnetic properties.
Structural Insights:
X-ray Diffraction (XRD) analysis yielded fascinating results, showcasing the presence of both M-type hexagonal ferrite and hematite phases in all our synthesized samples. This affirmation is a critical milestone, underscoring the success of our tailored synthesis approach.
Magnetic Enhancements:
The real excitement lies in the magnetic hysteresis loops analysis conducted at room temperature. We observed a noteworthy trend - an increase in saturation magnetization with higher lanthanum substitution. This not only validates the efficacy of our synthesis method but also opens avenues for tuning the magnetic behavior of these hexaferrites. The implications for applications requiring specific magnetic characteristics are immense.
Next Steps:
Building on these promising findings, our focus now shifts to optimization. We aim to fine-tune the synthesis conditions to maximize the magnetic potential of these materials. Additionally, we're eager to explore specific applications that could benefit from the enhanced magnetic properties observed in our study.
Gratitude to our dedicated team for their collaborative effort in pushing the boundaries of materials science. Exciting times ahead!
https://lnkd.in/eXiVcf-q
#MaterialsScience #Research #Innovation #MagneticMaterials #AdvancedMaterials
Raffinement for XRD pattern of Kaolin, Metakaolin and Geopolymer cement for quantification of cristalline and amorphous phases
I incorporated magnetic nanoparticles into MOF and the MOF XRD peaks shifted towards the left side. What should the possible reasons be?
I have used the equal amount of same salt of two different metal like CuCl2 and ZnCl2, Oxidation of both metal is same but XRD peaks of only one metal has appeared. Even that both metal have their XRD peaks at different angles. If un-equal amount is used then one metal has broad peaks while 2nd metal is has minor peaks. Please guide.
Crystals A were left to boil at 45 degrees Celsius for 5 minutes, Crystals B were left for 45 minutes at 45 degrees Celsius and crystals C were left to boil for 24 hours in 45 degrees Celsius. The following images are of the XRD graphs and crystal sizes viewed on a SEM. The XRD graphs have sample A, B and C on the top of the graph. Crystals A, B and C are below and labelled in the file name. Does anyone know how to describe the crystals obtained from the SEM. Also how to describe the crystals using the graphs? Thank you. There is a scale on the bottom of each SEM image to measure the crystal thickness but im not sure how to calculate it. We also have to calculate the average crystallite thickness using the Scherrer Equation, if anyone is able to figure that out. Thank you!
+3
The present study focuses on the investigation of Cu-Cr co-substituted M-type barium hexaferrites, specifically for its potential use in lossless low-frequency applications. The research examines several aspects of these materials, including their dielectric properties, surface morphology, thermal behavior, magnetic properties, and Raman spectroscopic features. Several samples of M-type BaCuxCrxFe12-2xO19 were synthesized using a green technique that included the use of an extract derived from mentha plants. After being subjected to a temperature of 1100°C, the samples were subjected to several analytical techniques including structural analysis, thermal analysis, magnetic analysis, Raman spectroscopy, and low frequency dielectric testing. The X-ray diffraction (XRD) results revealed the presence of two distinct phases, namely the M-phase and the secondary BaFe2O4. The observed samples had a characteristic of being hard magnetic, characterized by the presence of multi-domain structures. Additionally, the use of Raman spectroscopy provided confirmation that the Fe ions had effectively substituted the Cu and Cr ions.
https://lnkd.in/dFFCTRp4
#HexaferriteResearch
#GreenSynthesis
#MagneticMaterials
Does anyone knows what is the minimum thickness of metallic coating to avoid supstrata signal in XRD or EDS measurements.. For example, MoFe alloy on Fe supstrate.
Thanks in advance
I just performed a XRD analysis on a metallic glass particle and got an amorphous halo around 2(theta)=44 degree. How can I justify why the peak appears around 44 degrees?
I have prepared a glass sample with rare earth doping. My XRD is as below. Please give suggestions. why this graph got hump, i am confused whether it is correct or wrong. If wrong please suggest me, what corrections has to be done. How to understand the XRD graph. I want go for other characteristics if this result is good, suggest me the other characteristics
In this study, a series of M-type lanthanum-substituted strontium cobalt hexaferrites, denoted as Sr0.5Co0.5LaxFe12-xO19 (with x values of 0.0, 0.05, 0.15, and 0.2), were meticulously synthesized using a straightforward heat treatment method. The subsequent calcination process at 950 °C and 1050 °C for 3 hours in a muffle furnace, followed by gradual cooling to room temperature, ensured the formation of hexagonal ferrites with controlled lanthanum content.
The structural and magnetic characteristics of the prepared samples were thoroughly investigated using X-ray diffraction (XRD) technique and magnetic hysteresis loops, respectively. The XRD analysis unveiled the presence of M-type hexagonal ferrite and hematite phases in all samples, indicating the successful synthesis of the desired materials. Notably, the magnetic hysteresis loops analysis at room temperature demonstrated a discernible increase in saturation magnetization with the progressive substitution of lanthanum.
This research contributes valuable insights into the tailored fabrication of M-type hexaferrites with tunable magnetic properties, holding significance for applications in diverse fields such as electronics and magnetism.
DOI : https://lnkd.in/eGJM-_Gm
#MaterialsScience #Research #Hexaferrites #MagneticProperties
This study presents the first report on Nd-NbZn co-substituted M-type Ca-Sr hexaferrites with nominal compositions Ca0.4Sr0.6-xNdxFe12.0-x(Nb0.5Zn0.5)xO19 (x = 0.00–0.32) fabricated by the conventional solid-state reaction method. X-ray diffractometer (XRD), Fourier transformer infrared (FTIR) spectroscopy, field emission scanning electron microscopy (FE-SEM), and physical property measurement system-vibrating sample magnetometer (PPMS-VSM) were employed to characterize the hexaferrites. The XRD patterns showed the single M-type hexaferrite phase, while for the hexaferrites with Nd-NbZn content (x)≥ 0.24, the impurity phase (α-Fe2O3) was observed. FT-IR frequency bands in the range (592–613) cm−1 and (430–470) cm−1 corresponded to the formation of tetrahedral and octahedral clusters of metal oxides in the hexaferrites, respectively. FE-SEM micrographs showed that the grains were platelet-like shapes
#spectroscopy#magnetometer#micrographs#X-ray
Conducted an extensive study on hexaferrites, substituting Erbium into X-type Ba2Co2ErxFe28-xO46 through a precise heat treatment process. XRD analysis highlighted phase variations, showcasing distinct X, W-type, and α-Fe2O3 phases in x = 0.0 samples, while Er-substituted samples exhibited the presence of X and W phases. The room temperature Mössbauer spectra, meticulously fitted with five sextets, elucidated a variation in saturation magnetization (MS). The pinnacle magnetic properties, with MS at 52.29 Am2/kg and anisotropy field-Ha at 1370 kA/m, were observed for x = 0.12 composition. Further, a comprehensive exploration of dielectric responses, from low frequency (20 Hz–2 MHz) behaviors attributed to grain boundaries to higher frequencies associated with grain contributions, was conducted. The findings suggest potential applications in filters owing to the soft ferrite behavior and low dielectric loss tangent exhibited by the substituted compositions. This research contributes valuable insights to the field of materials science and magnetism.
The study focuses on the preparation and characterization of Erbium-substituted hexaferrites (Ba2Co2ErxFe28-xO46) using a heat treatment method. Key aspects include XRD investigation revealing phase variations, Mössbauer spectroscopy explaining saturation magnetization (MS) variation, and identification of optimal magnetic properties at x = 0.12 (MS: 52.29 Am2/kg, anisotropy field-Ha: 1370 kA/m). The research delves into dielectric responses, attributing low-frequency behavior to grain boundary contributions and high-frequency behavior to grain contributions. The findings suggest potential applications in filters due to soft ferrite behavior and a low dielectric loss tangent exhibited by the substituted compositions.
#MaterialsScience #Research #Hexaferrites #MagneticProperties #DielectricAnalysis #Innovation
The fabrication of X-type samarium-cadmium co-substituted hexaferrite was conducted using a thermal treatment approach at a temperature of 1340°C for the purpose of study. The samples were characterised using low-frequency dielectric measurements, Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), vibrating sample magnetometry (VSM), and Mössbauer spectroscopy. The primary phases that were generated were identified as X and hematite using X-ray diffraction (XRD) examination. The magnetic saturation (MS) value shown a range spanning from 67.01 Am2/kg to 50.43 Am2/kg. Moreover, compositions characterised by x = 0.06 and y = 0.3 showed a relatively low coercivity (Hc) value. The narrow hysteresis loops were observed in hexaferrites with magnetic flexibility. The Mossbauer spectra demonstrated the existence of doublets. These materials enable many applications such as lossless low-frequency applications, electromagnet design, transformer core manufacturing, and electric motor building.
#MagneticSoftMaterials
#CoercivityAnalysis
A series of samarium-cadmium co-substituted hexaferrites, represented by the formula Ba2-xSmxCo2CdyFe28-yO46, were synthesized through a straightforward heat treatment method at 1340 °C. Characterization of the samples involved various techniques such as FTIR, XRD, SEM, VSM, Mӧssbauer, and low-frequency dielectric measurements. XRD analysis revealed the dominant presence of the desired phase (denoted as X) alongside hematite. The magnetic saturation (MS) ranged from 67.01 Am2/kg to 50.43 Am2/kg, while coercivity (Hc) varied from 2.95 kA/m to 6.17 kA/m. The pure sample exhibited a notably high MS value (67.01 Am2/kg), while the composition with x = 0.06, y = 0.3 displayed a remarkably low Hc value (2.95 kA/m), indicating potential applications in electromagnets, transformer cores, and electric motors. However, the Mr/Ms ratio below 0.5 affirmed the multi-domain nature of the hexaferrites. Hysteresis loops of all samples demonstrated narrow characteristics, confirming their magnetically soft nature. Mössbauer spectra of selected samples (S1, S3, and S5) exhibited doublets. The observed low values of coercivity, retentivity, and loss tangent in samarium-cadmium substituted samples suggested their suitability for lossless low-frequency applications.
#hexaferrites
#characterizations
#materialsynthesis
#scientificresearch
#materialscience
#electromagnets
Researchers developed X-type samarium-cadmium co-substituted hexaferrite, with composition Ba2xSmxCo2CdyFe28-yO46 (0.00 ≤ x ≤ 0.08 and 0 ≤ y ≤ 0.4). The material was prepared by heat treatment technique at 1340°C and was characterized using FTIR, XRD, SEM, VSM, Mössbauer and low-frequency dielectric measurements.
The XRD of the prepared samples showed the formation of X as a major phase along with hematite. The MS value varied from 67.01 Am2/kg to 50.43 Am2/kg; whereas the Hc value changed from 2.95 kA/m to 6.17 kA/m. A high value of MS (67.01 Am2/kg) was observed in the pure sample, and a very low value of Hc (2.95 kA/m) was observed for x = 0.06, y = 0.3 compositions. Hysteresis loops of all samples are narrow and confirmed that formed samples were magnetically soft. Mössbauer spectra of the three samples (S1, S2 and S3) show the existence of doublets. Significantly low values of coercivity, retentivity and loss tangent in Sm-Cd substituted samples signified those prepared materials can be used to design electromagnets, transformer cores, electric motors and maybe a potential candidate for losses low-frequency applications.
The research has shown that X-type samarium-cadmium co-substituted hexaferrite is a promising new material for a variety of applications, including electromagnets, transformer cores, electric motors and lossless low-frequency applications.
#Research
#MaterialScience
#Magnetism
#Technology
#Hexaferrite
#Innovation
