Diffuse Scattering And Defect Structure Simulations

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Diffuse Scattering And Defect Structure Simulations

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Author : Reinhard B. Neder
language : en
Publisher: OUP Oxford
Release Date : 2008-11-20

Diffuse Scattering And Defect Structure Simulations written by Reinhard B. Neder and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-11-20 with Science categories.

In recent years it has become apparent that knowing the average atomic structure of materials is insufficient to understand their properties. Diffuse scattering in addition to the Bragg scattering holds the key to learning about defects in materials, the topic of many recent books. What has been missing is a detailed step-by-step guide how to simulate disordered materials. The DISCUS cook book fills this need covering simple topics such as building a computer crystal to complex topic such as domain structures, stacking faults or using advanced refinement techniques to adjust parameters on a disordered model. The book contains a CDROM with all files needed to recreate every example given using the program DISCUS. The reader is free to follow the principles behind simulating disordered materials or to get down into the details and run or modify the given examples.

Fundamentals Of Powder Diffraction And Structural Characterization Of Materials Second Edition

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Author : Vitalij Pecharsky
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-11-26

Fundamentals Of Powder Diffraction And Structural Characterization Of Materials Second Edition written by Vitalij Pecharsky and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-11-26 with Science categories.

A little over ?ve years have passed since the ?rst edition of this book appeared in print. Seems like an instant but also eternity, especially considering numerous developments in the hardware and software that have made it from the laboratory test beds into the real world of powder diffraction. This prompted a revision, which had to be beyond cosmetic limits. The book was, and remains focused on standard laboratory powder diffractometry. It is still meant to be used as a text for teaching students about the capabilities and limitations of the powder diffraction method. We also hope that it goes beyond a simple text, and therefore, is useful as a reference to practitioners of the technique. The original book had seven long chapters that may have made its use as a text - convenient. So the second edition is broken down into 25 shorter chapters. The ?rst ?fteen are concerned with the fundamentals of powder diffraction, which makes it much more logical, considering a typical 16-week long semester. The last ten ch- ters are concerned with practical examples of structure solution and re?nement, which were preserved from the ?rst edition and expanded by another example – R solving the crystal structure of Tylenol .

In Situ Characterization Of Heterogeneous Catalysts

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Author : José A. Rodriguez
language : en
Publisher: John Wiley & Sons
Release Date : 2013-06-10

In Situ Characterization Of Heterogeneous Catalysts written by José A. Rodriguez and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-10 with Science categories.

HELPS RESEARCHERS DEVELOP NEW CATALYSTS FOR SUSTAINABLE FUEL AND CHEMICAL PRODUCTION Reviewing the latest developments in the field, this book explores the in-situ characterization of heterogeneous catalysts, enabling readers to take full advantage of the sophisticated techniques used to study heterogeneous catalysts and reaction mechanisms. In using these techniques, readers can learn to improve the selectivity and the performance of catalysts and how to prepare catalysts as efficiently as possible, with minimum waste. In-situ Characterization of Heterogeneous Catalysts features contributions from leading experts in the field of catalysis. It begins with an introduction to the fundamentals and then covers: Characterization of electronic and structural properties of catalysts using X-ray absorption fine structure spectroscopy Techniques for structural characterization based on X-ray diffraction, neutron scattering, and pair distribution function analysis Microscopy and morphological studies Techniques for studying the interaction of adsorbates with catalyst surfaces, including infrared spectroscopy, Raman spectroscopy, EPR, and moderate pressure XPS Integration of techniques that provide information on the structural properties of catalysts with techniques that facilitate the study of surface reactions Throughout the book, detailed examples illustrate how techniques for studying catalysts and reaction mechanisms can be applied to solve a broad range of problems in heterogeneous catalysis. Detailed figures help readers better understand how and why the techniques discussed in the book work. At the end of each chapter, an extensive set of references leads to the primary literature in the field. By explaining step by step modern techniques for the in-situ characterization of heterogeneous catalysts, this book enables chemical scientists and engineers to better understand catalyst behavior and design new catalysts for green, sustainable fuel and chemical production.

Nanosilicon

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Author : Anatoly A. Ischenko
language : en
Publisher: CRC Press
Release Date : 2014-07-23

Nanosilicon written by Anatoly A. Ischenko and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-07-23 with Science categories.

Nanosilicon: Properties, Synthesis, Applications, Methods of Analysis and Control examines the latest developments on the physics and chemistry of nanosilicon. The book focuses on methods for producing nanosilicon, its electronic and optical properties, research methods to characterize its spectral and structural properties, and its possible applications. The first part of the book covers the basic properties of semiconductors, including causes of the size dependence of the properties, structural and electronic properties, and physical characteristics of the various forms of silicon. It presents theoretical and experimental research results as well as examples of porous silicon and quantum dots. The second part discusses the synthesis of nanosilicon, modification of the surface of nanoparticles, and properties of the resulting particles. The authors give special attention to the photoluminescence of silicon nanoparticles. The third part describes methods used for studying and controlling the structure and properties of nanocrystalline silicon. These methods include standard ones, such as electron microscopy, spectroscopy, and diffraction, as well as novel techniques, such as femtosecond spectroscopy, ultrafast electron nanocrystallography, and dynamic transmission electron microscopy. The fourth part details some of the practical applications of nanocrystalline silicon, including the use of nanoparticles as additives–absorbers of UV radiation in sunscreens. Incorporating much of the authors’ own extensive research results, this book provides a systematic account of the scientific problems of nanosilicon and its potential practical applications. It will help readers understand current and emerging applications and research methods of this unique material.

Atomic Pair Distribution Function Analysis

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Author : Simon Billinge
language : en
Publisher: Oxford University Press
Release Date : 2023-11-08

Atomic Pair Distribution Function Analysis written by Simon Billinge and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-11-08 with Science categories.

Since the early 1990s the atomic pair distribution function (PDF) analysis of powder diffraction data has undergone something of a revolution in its ability to do just that: yield important structural information beyond the average crystal structure of a material. With the advent of advanced sources, computing and algorithms, it is now useful for studying the structure of nanocrystals, clusters and molecules in solution or otherwise disordered in space, nanoporous materials and things intercalated into them, and to look for local distortions and defects in crystals. It can be used in a time-resolved way to study structural changes taking place during synthesis and in operating devices, and to map heterogeneous systems. Although the experiments are somewhat straightforward, there can be a gap in knowledge when trying to use PDF to extract structural information by modelling. This book addresses this gap and guides the reader through a series of real life worked examples that gradually increase in complexity so the reader can have the independence and confidence to apply PDF methods to their own research and answer their own scientific questions. The book is intended for graduate students and other research scientists who are new to PDF and want to use the methods but are unsure how to take the next steps to get started.

25th Annual Conference Of The German Crystallographic Society March 27 30 2017 Karlsruhe Germany

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Author :
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2017-03-20

25th Annual Conference Of The German Crystallographic Society March 27 30 2017 Karlsruhe Germany written by and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-03-20 with Science categories.

Zeitschrift für Kristallographie. Supplement Volume 37 presents the complete Abstracts of all contributions to the 25th Annual Conference of the German Crystallographic Society in Karlsruhe (Germany) 2017: - Plenary Talks - Microsymposia - Poster Session Supplement Series of Zeitschrift für Kristallographie publishes Abstracts of international conferences on the interdisciplinary field of crystallography.

Symmetry Relationships Between Crystal Structures

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Author : Ulrich Müller
language : en
Publisher: OUP Oxford
Release Date : 2013-04-04

Symmetry Relationships Between Crystal Structures written by Ulrich Müller and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-04 with Science categories.

In crystal chemistry and crystal physics, the relations between the symmetry groups (space groups) of crystalline solids are of special importance. Part 1 of this book presents the necessary mathematical foundations and tools: the fundamentals of crystallography with special emphasis on symmetry, the theory of the crystallographic groups, and the formalisms of the needed crystallographic computations. Part 2 gives an insight into applications to problems in crystal chemistry. With the aid of numerous examples, it is shown how crystallographic group theory can be used to make evident relationships between crystal structures, to set up a systematic order in the huge amount of known crystal structures, to predict crystal structures, to analyse phase transitions and topotactic reactions in the solid state, to understand the formation of domains and twins in crystals, and to avoid errors in crystal structure determinations. A broad range of end-of-chapter exercises offers the possibility to apply the learned material. Worked-out solutions to the exercises can be found at the end of the book.

Polymorphism In Molecular Crystals

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Author : Joel Bernstein
language : en
Publisher:
Release Date : 2020

Polymorphism In Molecular Crystals written by Joel Bernstein and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020 with Science categories.

Polymorphism in chemistry is the existence of multiple crystal structures for one substance. The properties of a substance are determined by its composition and by its structure. This book summarizes and brings up to date the current knowledge and understading of polymorphism of molecular crystals.

Aperiodic Crystals

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Author : Ted Janssen
language : en
Publisher: Oxford University Press
Release Date : 2018

Aperiodic Crystals written by Ted Janssen and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018 with Science categories.

This book explains aperiodic crystals, which cannot be described by the classical model of 3-dimensional periodicities. The study of these new types of material necessitates describing them in dimensions larger than three. It describes the physical and mathematical methods to solve and characterize them, and to understand their physical properties.

Phasing In Crystallography

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Author : Carmelo Giacovazzo
language : en
Publisher: Oxford University Press, USA
Release Date : 2014

Phasing In Crystallography written by Carmelo Giacovazzo and has been published by Oxford University Press, USA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014 with Science categories.

The book describes phasing techniques in modern crystallography. The main text is dedicated to their simple description, and further mathematical details are contained in the appendices. Practical aspects are described for each specific method, making it a useful tool for the daily work of practising crystallographers.