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Dissertations / Theses on the topic 'Powder X-Ray Diffraction Analysis'

Author: Grafiati

Published: 3 June 2025

Last updated: 31 July 2025

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1

Intisar, Amir. "A portable CCD array detector for in-situ analysis of powder samples using combined X-ray diffraction/X-ray fluorescence techniques." Thesis, Brunel University, 2010. http://bura.brunel.ac.uk/handle/2438/4401.

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This work describes the design, development and testing of a portable charge-coupled device detector system to be used for the simultaneous collection of X-ray diffraction and X-ray fluorescence data from powdered samples. The detector was designed for both terrestrial and extra-terrestrial applications that require in-situ analysis of samples, where access to a laboratory instrument is restricted. The detector system incorporates 4 e2v technologies CCD30-11 devices, employing multi-phase pinned technology for low noise operation. Geometrical calculations and thermal studies concerning the des

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2

Tsuboi, Chiaki. "X-ray crystal structure analyses of magnetically oriented microcrystalline suspensions." Kyoto University, 2016. http://hdl.handle.net/2433/216190.

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Kyoto University (京都大学)<br>0048<br>新制・課程博士<br>博士(農学)<br>甲第19936号<br>農博第2186号<br>新制||農||1044(附属図書館)<br>学位論文||H28||N5009(農学部図書室)<br>33022<br>京都大学大学院農学研究科森林科学専攻<br>(主査)教授木村恒久, 教授西尾嘉之, 教授髙野俊幸<br>学位規則第4条第1項該当

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3

OLIVEIRA, TEREZINHA FERREIRA DE. "ANALYSIS OF THE UNCERTAINTIES OF THE QUANTITATIVE PHASE ANALYSIS BY X-RAY POWDER DIFFRACTION BASED ON THE RIETVELD METHOD." PONTIFÍCIA UNIVERSIDADE CATÓLICA DO RIO DE JANEIRO, 2005. http://www.maxwell.vrac.puc-rio.br/Busca_etds.php?strSecao=resultado&nrSeq=6377@1.

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COORDENAÇÃO DE APERFEIÇOAMENTO DO PESSOAL DE ENSINO SUPERIOR<br>UNIVERSIDADE FEDERAL DA BAHIA<br>A análise de sistemas de medição consiste do exame da adequação do sistema quanto ao operador, ao instrumento e a outras fontes de variação, bem como da comparação da variância do erro de medição com a variância natural do processo. Nesse aspecto, esta pesquisa teve por objetivo a análise das incertezas da quantificação de fase pelo método de Rietveld em análise de pó. Os efeitos de vários fatores na quantificação de fase foram avaliados utilizando técnicas estatísticas de planejamento experi

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4

Beyerlein, Kenneth Roy. "Simulation and modeling of the powder diffraction pattern from nanoparticles: studying the influence of surface strain." Diss., Georgia Institute of Technology, 2011. http://hdl.handle.net/1853/41211.

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Accurate statistical characterization of nanomaterials is crucial for their use in emerging technologies. This work investigates how different structural characteristics of metal nanoparticles influence the line profiles of the corresponding powder diffraction pattern. The effects of crystallite size, shape, lattice dynamics, and surface strain are all systematically studied in terms of their impact on the line profiles. The studied patterns are simulated from atomistic models of nanoparticles via the Debye function. This approach allows for the existing theories of diffraction to be tested,

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5

Santarelli, Xenja. "Development of capabilities for "in situ" analysis of nanoparticles at the MCX powder diffraction beamline." Doctoral thesis, Università degli studi di Trieste, 2011. http://hdl.handle.net/10077/4479.

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2009/2010<br>Riassunto Presso la linea di diffrazione MCX (Material Characterization by X-ray diffraction) del Sincrotrone di Trieste e' stata messa a punto una stazione sperimentale che consente di eseguire analisi "in situ" di nanostrutture. Il sistema e' indipendente dal diffrattometro e consente di ottenere in tempi ridotti (grazie all’uso di un Imaging Plate come detector) pattern di diffrazione da polveri o film sottili. La stazione sperimentale e’ dotata di un forno che puo’ riscaldare i campioni fino a 1000ºC. Inoltre e' stato implementato un sistema che consente il flusso di gas at

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6

Fawad, Salman Kohar. "Quantitative analysis of multi-phase systems -steels with mixture of ferrite and austenite." Thesis, Linköping University, The Department of Physics, Chemistry and Biology, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-2681.

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<p>The goal of this work has been to evaluate the different experimental techniques used for quantitative analysis of multi-phase materials systems. </p><p>Powder based specimens containing two-phases, austenite and ferrite , were fabricated and quantified. The volume fraction of ferrite varied from 2 Vol% to 50 Vol%. </p><p>X ray powder diffraction (XRD) measurements were based on two peak analysis. Computer based software Topas was used for quantitative analysis, which is believed to be the most advanced in this field. XRD results were found within the absolute limit of +/- 4% of given ferri

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7

Beyerlein, Kenneth Roy. "Simulation and Modeling of the Powder Diffraction Pattern from Nanoparticles: Studying the Effects of Faulting in Small Crystallites." Doctoral thesis, Università degli studi di Trento, 2011. https://hdl.handle.net/11572/368693.

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Accurate statistical characterization of nanomaterials is crucial for their use in emerging technologies. This work investigates how different structural characteristics of metal nanoparticles influence the line profiles of the corresponding powder diffraction pattern. The effects of crystallite size, shape, lattice dynamics, and faulting are all systematically studied in terms of their impact on the line profiles. The studied patterns are simulated from atomistic models of nanoparticles via the Debye function. This approach allows for the existing theories of diffraction to be tested, and ex

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8

Muroyama, Norihiro. "Studies of inorganic crystal structures and gas adsorption process in mesoporous crystals : new approach through analysis of electron charge distribution by synchrotron powder X-ray diffraction /." Stockholm : Department of Physical, Inorganic and Structural Chemistry, Stockholm university, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-7367.

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9

Fullagar, Wilfred Kelsham, and w_fullagar@hotmail com. "Molecular Fullerides." The Australian National University. Research School of Chemistry, 1997. http://thesis.anu.edu.au./public/adt-ANU20010831.150750.

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The closed shell structures of certain all-carbon fragments originally observed in mass spectroscopy experiments leads to the enhanced stability of these species, known as fullerenes, which have excited sufficient interest amongst chemists and physicists over the last decade to warrant the award of the 1996 Nobel Prize for Chemistry to their discoverers. ¶ Studies of the stability, symmetry, and consequent remarkable properties of fullerenes began in earnest in 1991 with the development of a technique enabling the production and purification of macroscopic quantities of material. The best kno

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10

Kifune, Koichi, Miho Fujita, Mitsuru Sano, Motoharu Saitoh, and Koh Takahashi. "Electrochemical and Structural Properties of a 4.7 V-Class LiNi0.5Mn1.5 O 4 Positive Electrode Material Prepared with a Self-Reaction Method." The Electrochemical Society, 2004. http://hdl.handle.net/2237/18424.

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11

Arrué-Muñoz, Ramón. "Magnétisme coopératif dans des composés de coordination à base de Cu(II), Ni(II) et Co(II) et ligands imidazole carboxyliques." Thesis, Rennes 1, 2014. http://www.theses.fr/2014REN1S113/document.

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La présente thèse traite de la synthèse à température ambiante et pression atmosphérique de différents composés de coordination hybrides organique-inorganiques. La partie inorganique de ces composés est constituée d’éléments de transition de la première période 3dn divalents: cobalt, nickel et cuivre. Les ligands utilisés constituent la partie organique de ces composés. Les ligands employés sont l’acide-1H-imidazol-4-carboxilique (H2IMC) et l’acide-1H-imidazol-4,5-dicarboxílique (H3IMDC). La composante inorganique Mx+ est introduite dans le composé terminal en utilisant le précurseur métalliqu

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12

RODRIGUES, RANIERI A. "Estudo da formação de fases secundárias no compósito LSM/YSZ." reponame:Repositório Institucional do IPEN, 2007. http://repositorio.ipen.br:8080/xmlui/handle/123456789/11563.

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Made available in DSpace on 2014-10-09T12:53:18Z (GMT). No. of bitstreams: 0<br>Made available in DSpace on 2014-10-09T13:59:02Z (GMT). No. of bitstreams: 0<br>Dissertação (Mestrado)<br>IPEN/D<br>Instituto de Pesquisas Energéticas e Nucleares - IPEN-CNEN/SP

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13

Weston, Laura. "Computational characterisation of organic molecules for electronic applications and an experimental study of cocrystals for electronic devices." Thesis, University of Manchester, 2016. https://www.research.manchester.ac.uk/portal/en/theses/computational-characterisation-of-organic-molecules-for-electronic-applications-and-an-experimental-study-of-cocrystals-for-electronic-devices(0d1a24ea-3241-40cf-bafa-6be179ba4c26).html.

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A range of small molecules of interest for use in organic semiconductor devices were studied computationally. Trends in geometry, absorption spectra, molecular orbitals, electrostatic potentials, reorganisation energies were studied. Results suggest that, as with acenes, the performance of non-linear cata-condensed polyaromatic hydrocarbons improves as number of fused benzene rings increases. The torsion in these molecules did not appear to have a large impact on the conjugation across the core and little effect on the absorption spectra, although it did affect the reorganisation energies on w

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14

Ortatatlı, Şeyma [Verfasser], Cuenya Beatriz [Gutachter] Roldán, and Claudia [Gutachter] Weidenthaler. "Monitoring the structures of inorganic materials by \(\textit ex situ/in situ}\) X-Ray powder diffraction and pair distribution function analysis / Şeyma Ortatatlı ; Gutachter: Beatriz Roldán Cuenya, Claudia Weidenthaler ; Fakultät für Physik und Astronomie." Bochum : Ruhr-Universität Bochum, 2018. http://d-nb.info/1160442223/34.

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15

FALCAO, RAILSON B. "Síntese por reação do TiFe nanoestruturado para o armazenamento de hidrogênio, a partir da moagem de alta energia de misturas de pós de TiH2 e Fe." reponame:Repositório Institucional do IPEN, 2016. http://repositorio.ipen.br:8080/xmlui/handle/123456789/27135.

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Submitted by Mery Piedad Zamudio Igami (mery@ipen.br) on 2017-03-10T16:23:34Z No. of bitstreams: 0<br>Made available in DSpace on 2017-03-10T16:23:34Z (GMT). No. of bitstreams: 0<br>Neste trabalho investigou-se a obtenção do composto TiFe a partir da moagem de alta energia de misturas de pós de TiH2 e Fe, seguida de aquecimento sob vácuo para a reação de síntese. No lugar do Ti, o TiH2 foi escolhido como precursor em razão de sua fragilidade, benéfica para a diminuição da aderência dos pós ao ferramental de moagem. Foram preparados dois lotes de misturas obedecendo-se a relação Ti:Fe de 50:50

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16

Hinrichsen, Bernd. "Two-dimensional X-ray powder diffraction." [S.l. : s.n.], 2007. http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-33946.

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17

Theiss, Frederick L. "Synthesis and characterisation of layered double hydroxides and their application for water purification." Thesis, Queensland University of Technology, 2012. https://eprints.qut.edu.au/54620/1/Frederick_Thesis.pdf.

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Layered doubly hydroxides (LDHs) also known as hydrotalcites or anionic clays are a group of clay minerals that have shown promise for the removal of toxic anions from water through both anion exchange and a process known as the reformation effect. This project has involved the preparation and characterisation of LDH materials as well as the investigation of their ability to remove selected anions from aqueous solutions by the reformation effect. The LDH materials were successfully prepared from magnesium, aluminium, zinc and chromium chloride salts using the co-precipitation method. Sample

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18

Ibiapino, Amanda Laura. "Caracterização físico-química dos derivados sulfonilidrazônicos - LASSBio-1773 e LASSBio-1774 - empregados no tratamento do diabetes mellitus tipo 2." reponame:Repositório Institucional da UFABC, 2016.

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Orientador: Prof. Dr. Fabio Furlan Ferreira<br>Tese (doutorado) - Universidade Federal do ABC, Programa de Pós-Graduação em Nanociências e Materiais Avançados, 2016.<br>Diabetes mellitus é um problema de saúde pública com elevado ônus social e econômico. O diabetes mellitus tipo 2 (DM2) é o subtipo mais comum e está presente em 90% a 95% dos casos. Atualmente, pessoas portadoras de DM2 têm apresentado um risco elevado no desenvolvimento de alguns tipos de cânceres, o que gera uma maior preocupação sobre a saúde a nível mundial. Diante do aumento da incidência de portadores da doença a cada ano

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19

Gonzalez-Santiago, Berenice. "Synthesis and properties of scandium carboxylate metal-organic frameworks." Thesis, University of St Andrews, 2015. http://hdl.handle.net/10023/6904.

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This work investigated the synthesis, characterisation and properties of known and novel scandium carboxylate Metal-organic Frameworks (MOFs). The first part reports the performance of these Sc-MOFs as Lewis acid catalysts. The porous MOF scandium trimesate MIL-100(Sc) and the scandium terephthalates such as MIL-101(Sc), MIL-88B(Sc) and MIL-68(Sc) (prepared as the Sc-analogue for the first time), and scandium biphenyldicarboxylate MIL-88D(Sc) were prepared and tested as Lewis acid catalysts. Chromium MIL-101 and MIL-100 and scandium-exchanged zeolites were prepared for comparison. Moreover, su

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20

Barnett, Stephanie Jayne. "X-ray powder diffraction studies of ettringite and related systems." Thesis, Staffordshire University, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.244708.

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21

Tremayne, Maryjane. "Ab initio structure determination from X-ray powder diffraction data." Thesis, University of St Andrews, 1995. http://hdl.handle.net/10023/6503.

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Many important crystalline solids cannot be prepared in the form of single crystals of sufficient size and quality for single crystal X-ray diffraction studies, and in such cases it is essential that structural information can be extracted from powder diffraction data. In this thesis, a number of crystal structures have been determined directly from X-ray powder diffraction data recorded on a conventional laboratory instrument, and the limitations of this technique explored using both conventional and new more sophisticated methods of structure solution. This work has focussed mainly on the mo

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22

McBride, Lorraine. "Determination of organic crystal structures by X ray powder diffraction." Thesis, University of Strathclyde, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.248694.

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23

Rodriguez, Asiloe Jasmina Mora. "High resolution powder diffraction studies of molecular solids." Thesis, Keele University, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.321299.

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24

Bell, A. M. T. "Structural studies using synchrotron X-ray powder diffraction and other techniques." Thesis, University of Cambridge, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.596545.

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Chapter 1 gives an introduction to X-ray and neutron powder diffraction and the use of these techniques for crystal structure determination and refinement. The Rietveld structure refinement method is described and examples of different methods of structure determination from powder diffraction data are given. The techniques of EXAFS and Mössbauer spectroscopy, which were used to provide additional structural information, are also introduced. Chapter 2 describes the different radiation sources and experimental techniques used in this work. Chapter 3 describes a structural study of magnetite, Fe

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25

Seaton, Colin Cormack. "Novel methods of structure determination from X-ray powder diffraction data." Thesis, University of Birmingham, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.396462.

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The determination of crystal structures from powder diffraction data is a field that is rapidly expanding due to a range of computational and experimental developments. A major driving force of this expansion is the continuing development of direct space methods of structure solution. This work will show the development of the program POSSUM as a suite of direct space structure determination methods and its subsequent successful application to a number of molecular organic and inorganic materials whose crystal structures were previously unknown. Direct space methods utilise global optimisation

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26

Day, Sarah Joanne. "Studies of cosmic dust analogues using synchrotron X-ray powder diffraction." Thesis, Keele University, 2014. http://eprints.keele.ac.uk/1215/.

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The structural evolution of cosmic dust analogues has been investigated using in situ synchrotron X-ray powder diffraction (SXPD) at the Diamond Light Source. Amorphous Mg/Ca silicates are produced as analogues of cosmic dust using a modified sol-gel method. They are studied under non-ambient temperature and pressure conditions using in situ powder diffraction, complemented by FTIR and Raman spectroscopy. The solid-state mineralisation of amorphous grains is observed by thermal annealing and the results of this allow the environmental conditions leading to the formation of crystalline dust gra

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27

Leonardi, Alberto. "Molecular Dynamics and X-ray Powder Diffraction Simulations: Investigation of nano-polycrystalline microstructure at the atomic scale coupling local structure configurations and X-ray powder Diffraction techniques." Doctoral thesis, Università degli studi di Trento, 2012. https://hdl.handle.net/11572/368091.

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Atomistic simulations based on Molecular Dynamics (MD) were used to model the lattice distortions in metallic nano-polycrystalline microstructures, with the purpose of supporting the analysis of the X-ray powder diffraction patterns with a better, atomic level understanding of the studied system. Complex microstructures were generated with a new modified Voronoi tessellation method which provides a direct relation between generation parameters and statistical properties of the resulting model. MD was used to equilibrate the system: the corresponding strain field was described both in the core

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28

Leonardi, Alberto. "Molecular Dynamics and X-ray Powder Diffraction Simulations: Investigation of nano-polycrystalline microstructure at the atomic scale coupling local structure configurations and X-ray powder Diffraction techniques." Doctoral thesis, University of Trento, 2012. http://eprints-phd.biblio.unitn.it/843/1/PhDThesis_ALeonardi.pdf.

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Atomistic simulations based on Molecular Dynamics (MD) were used to model the lattice distortions in metallic nano-polycrystalline microstructures, with the purpose of supporting the analysis of the X-ray powder diffraction patterns with a better, atomic level understanding of the studied system. Complex microstructures were generated with a new modified Voronoi tessellation method which provides a direct relation between generation parameters and statistical properties of the resulting model. MD was used to equilibrate the system: the corresponding strain field was described both in the cor

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29

Wilkinson, Angus P. "Some applications of synchrotron X-ray powder diffraction to solid-state chemistry." Thesis, University of Oxford, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.302908.

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30

Wang, Te-Kang. "A powder X-ray diffraction study of two aluminum-lithium based alloys." Thesis, Monterey, California. Naval Postgraduate School, 1991. http://hdl.handle.net/10945/43736.

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Approved for public release; distribution is unlimited.<br>The microstructures of solution treated, quenched and aged A1-2.5 wt. %Li and A1-2.0 wt.%Li-2.76 wt.%Mg-1.03 wt.%Cu alloys were studied by powder X- ray diffraction. The as-quenched alloys showed extensive X-ray line broadening due to particle size effects and the intensity measurements indicated a significant amount ordering in the as-quenched state. These results were interpreted using a 'spinodal ordering' model which suggests that A1-Li-based alloys order during quenching and then spinodally decompose into regions of order and diso

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31

Chan, Fung Choy. "Powder X-ray diffraction studies of structural and kinetic aspects of polymorphism." Thesis, King's College London (University of London), 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.327050.

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Sitepu, Husinsyah. "Characterisation of preferred orientation in crystalline materials by x-ray powder diffraction." Thesis, Curtin University, 1991. http://hdl.handle.net/20.500.11937/1897.

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Texture, i.e. preferred orientation, can cause large systematic errors in quantitative analysis of crystalline materials using x-ray powder diffraction (XRPD) data. Various mathematical forms have been proposed for the application of preferred orientation corrections. The most promising of these appears to be the single-parameter March (1932) model proposed by Dollase (1986).Li and O'Connor (1989) applied the March model to determine the level of preferred orientation in various gibbsites using two procedures. The first involved the Rietveld (1969) least squares pattern-fitting method. Each pa

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33

Sitepu, Husinsyah. "Characterisation of preferred orientation in crystalline materials by x-ray powder diffraction." Curtin University of Technology, School of Physical Sciences, 1991. http://espace.library.curtin.edu.au:80/R/?func=dbin-jump-full&object_id=10554.

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Texture, i.e. preferred orientation, can cause large systematic errors in quantitative analysis of crystalline materials using x-ray powder diffraction (XRPD) data. Various mathematical forms have been proposed for the application of preferred orientation corrections. The most promising of these appears to be the single-parameter March (1932) model proposed by Dollase (1986).Li and O'Connor (1989) applied the March model to determine the level of preferred orientation in various gibbsites using two procedures. The first involved the Rietveld (1969) least squares pattern-fitting method. Each pa

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34

Aziz, Fauziah Haji. "Indexing and structural studies of materials by high-resolution X-ray powder diffraction." Thesis, University of Surrey, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.232903.

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35

Docherty, Andrea. "Crystal structure solution and refinement of pharmaceutical molecules using x-ray powder diffraction." Thesis, University of Strathclyde, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.399726.

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Atkins, Alison J. "Solid state studies of ternary oxides and sulphides." Thesis, University of Nottingham, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.320791.

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37

McDowell, John Christopher. "Preparation characterisation and stability of selected high critical temperature ceramic superconductors." Thesis, University of Ulster, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.260854.

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Griffiths, Jennifer Ann. "X-ray diffraction measurements for breast tissue analysis." Thesis, University College London (University of London), 2005. http://discovery.ucl.ac.uk/1444776/.

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Biological tissues exhibit elastic x-ray scatter properties unique to individual tissue types. It has been suggested that these properties could be exploited in the discrimination of tissues in diagnostic radiology, particularly in mammographic imaging. The work in this thesis investigates the elastic scatter from human breast tissues with a view to moving the Diffraction Enhanced Breast Imaging (DEBI) technique towards the clinical domain. Instrumentation was considered in terms of a suitable scatter detector and its associated collimation. A phosphor coated low-light-level CCD in conjunction

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39

Tian, Yu. "X-ray Diffraction Analysis of with Hydrogen Interstitials." Thesis, Uppsala universitet, Materialfysik, 2018. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-353796.

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Barium Zirconate is a material valuable in many aspects. Among all the significant characteristics of (BZO), the possibility of hydrogen interstitials is of great importance. With the help of X-ray diffraction analysis, many kinds of structure-related information of a crystal sample can be collected. In this thesis, the XRD pattern of hydrogen induced expansion and contraction of oxygen atoms in the BZO perovskite lattice is investigated both experimentally and theoretically.

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Mohamed, Zakiah. "Relationships Among Structure, Magnetism and State of Charge in Positive Electrode Materials for Metal-Ion Batteries." Thesis, The University of Sydney, 2015. http://hdl.handle.net/2123/14438.

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Polyanionic framework materials containing 3d transition metals such as iron, cobalt and manganese are attractive candidates as electrodes in lithium and sodium ion batteries due to their thermal stability, long cycle life and environmental friendliness. LiFePO4 is already used in some commercial lithium ion batteries as a positive electrode material where these are key attributes, but it still has lower energy density and higher costs compared to the more commonly used LiCoO2. This thesis describes a combined physical properties and magnetic structures some of these materials, aimed at improv

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41

Edwards, Clare M. "Applications of high-pressure spectroscopic and powder x-ray diffraction techniques to inorganic materials." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1998. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape10/PQDD_0005/NQ44419.pdf.

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42

Edwards, Clare M. "Application of high-pressure spectroscopic and powder X-ray diffraction techniques to inorganic materials." Thesis, McGill University, 1998. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=37544.

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The vibrational spectra (IR, Raman) of (eta6-C 6H5CO2CH3)Cr(CO)3, (eta 6-C6H5CO2CH3)Cr(CO) 2(CS), [Pt(NH3)4][PtCl4] (MGS), [Pt(ND 3)4] [PtCl4] (MGS-D), [Pt(NH 3)4][PtBr4] (MGS-Br), ReH7(dppe) (dppe = 1,2-bis(diphenylphosphino)ethane) and CpCo(C64H4) (Cp = cyclopentadiene) have been studied under pressures up to &sim;45 kbar. The magnitude and direction of the pressure-induced shift of the Raman-active nu(CO) and nu(CS) vibrational modes of (eta6-C6H 5CO2CH3)Cr(CO)3 and (eta6 -C6H5CO2CH3)Cr(CO) 2(CS) indicate an increase in the amount of pi-backbonding to the CO and CS ligands, under pressure,

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43

Taylor, Ryan. "Structural insights into pharmaceutical solids from synchrotron and laboratory x-ray powder diffraction data." Thesis, University of Strathclyde, 2012. http://oleg.lib.strath.ac.uk:80/R/?func=dbin-jump-full&object_id=25783.

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Structural insights into a wide range of pharmaceutically relevant solids, including pharmaceutical salts, co-crystals and amorphous solids have been gained through the use of X-ray powder diffraction techniques. By combining global optimisation methods with high-quality powder diffraction data collected in the laboratory or at a synchrotron radiation source, the crystal structures of pharmaceutically relevant materials were solved successfully and reproducibly. The crystal structures which were solved are moderately complex, and at the midpoint of the complexity that can be routinely tackled

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Davydok, Anton [Verfasser]. "X-ray diffraction analysis of InAs nanowires / Anton Davydok." Siegen : Universitätsbibliothek der Universität Siegen, 2013. http://d-nb.info/1044457511/34.

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Rajkumar, Ganeshalingam. "X-ray diffraction analysis and modelling of polycrystalline fibres." Thesis, Imperial College London, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.487950.

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This thesis concerns the development of software techniques for polycrystalline fibre diffraction analysis and the application of the techniques to the determination of the structures of target molecules. Fibre diffraction analysis is one of a powerful method for determining the structure of polycrystalline fibres. However, one of the main shortcomings of this method is the paucity of intensity data; the observed intensities need to be modelled using suitable methods. This particular problem is further complicated by the fact that no direct Fourier synthesis methods can be used because of the

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Strusevich, Dmitry. "Development of in-situ synchrotron X-ray powder diffraction techniques for studies of catalytic systems." Thesis, Birkbeck (University of London), 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.497909.

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Smith, Elaine D. L. "Combined molecular modelling and powder X-ray diffraction for crystal structure solution of organic materials." Thesis, Heriot-Watt University, 2004. http://hdl.handle.net/10399/249.

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Guo, Peng. "Structure Determination and Prediction of Zeolites : A Combined Study by Electron Diffraction, Powder X-Ray Diffraction and Database Mining." Doctoral thesis, Stockholms universitet, Institutionen för material- och miljökemi (MMK), 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-127750.

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Zeolites are crystalline microporous aluminosilicates with well-defined cavities or channels of molecular dimensions. They are widely used for applications such as gas adsorption, gas storage, ion exchange and catalysis. The size of the pore opening allows zeolites to be categorized into small, medium, large and extra-large pore zeolites. A typical zeolite is the small pore silicoaluminophosphate SAPO-34, which is an important catalyst in the MTO (methanol-to-olefin) process. The properties of zeolite catalysts are determined mainly by their structures, and it is therefore important to know th

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Fowkes, Amelia Jane. "High resolution powder neutron diffraction in solid state inorganic chemistry." Thesis, University of Oxford, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.299525.

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Murphy, Caitlin Anne. "An analysis of a continuum X-ray Diffraction/Fluorescence instrument." Thesis, Massachusetts Institute of Technology, 2007. http://hdl.handle.net/1721.1/114332.

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Thesis: S.B., Massachusetts Institute of Technology, Department of Earth, Atmospheric, and Planetary Sciences, 2007.<br>Cataloged from PDF version of thesis.<br>Includes bibliographical references (pages 40-41).<br>Scientists at NASA's Goddard Space Flight Center have developed a Combined X-ray Diffraction/Fluorescence (CXRDF) instrument. CXRDF performs simultaneous chemical and structural analysis of an unprepared sample, making it ideal for planetary mineral identification. In an effort to analyze the effectiveness of CXRDF, samples were chosen from a list of minerals that are important in t

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