Mixed-Anion Compounds.

Format:

Book

Author/Creator:

Kageyama, Hiroshi.

Contributor:

Ogino, Hiraku.

Zhu, Tong.

Hasegawa, Tetsuya.

Language:

English

Subjects (All):

Anions.

Inorganic compounds.

Physical Description:

1 online resource (272 pages)

Edition:

1st ed.

Place of Publication:

La Vergne : Royal Society of Chemistry, The, 2024.

Summary:

The purpose of this book is a systematic description of the science of mixed-anion compounds with a comprehensive description of synthesis, analysis, applications, and computational science related to mixed-anion compounds.

Contents:

Cover

Copyright

Foreword

Preface

Characteristics of Mixed-anion Compounds

Contents

Chapter 1 Chemistry of Mixed-anion Compounds

1.1 Chemical Bonding in Solids: Basic Classifications

1.1.1 Covalent Bonds

1.1.2 Coordination Bonds

1.1.3 Ionic Bonds

1.1.4 van der Waals Bonds

1.1.5 Hydrogen Bonds

1.1.6 Metallic Bonds

1.2 Approaching Solids from an Anion Perspective

1.3 Current State and Challenges of Single-anion Compounds - A Case Study of Oxides

1.4 Mixed-anion Compounds

1.5 Characteristics of Mixed-anion Compounds

Further Reading

References

Chapter 2 Synthesis Methods of Mixed-anion Compounds

2.1 High-temperature Reactions

2.1.1 Solid-state Synthesis and Single-crystal Growth

2.1.1.1 General Trends in the Synthesis of Mixed-anion Compounds

2.1.1.2 Characteristics of Synthesis with Each Anion Combination

2.1.1.3 General Synthesis Methods

2.1.1.4 Single-crystal Growth

2.1.1.4.1 Flux Method

2.1.1.5 Conclusion

2.1.2 Solid-Gas Phase Synthesis

2.1.2.1 Synthesis of Metal Oxynitrides Through Ammonia Nitridation Reactions

2.1.2.2 Usage of Fine Oxide Particles and Low-crystallinity Precursors

2.1.2.3 Topochemical Nitridation Reaction

2.1.2.4 Nitridation Reaction Using Chloride Fluxes

2.1.2.5 Controlling of Ammonia Gas Partial Pressure

2.1.2.6 Synthesis of Oxyfluorides

2.1.2.7 Synthesis of Oxysulphides and Oxychlorides

2.1.2.8 Safety Precautions for Solid-Gas Phase Reactions

2.1.3 High-temperature, High-pressure Synthesis

2.1.3.1 Introduction - Advantages of High-pressure Synthesis

2.1.3.2 High-pressure Synthesis from a Thermodynamic Perspective

2.1.3.3 High-pressure Synthesis Technique

2.1.3.4 High-pressure Synthesis of Mixed-anion Compounds

2.1.3.4.1 Selection and Handling of Starting Materials.

2.1.3.4.2 Synthesis in a Confined Space

2.1.3.4.3 Structure and Property Control Using the Anion Compressibility Difference

2.1.3.5 Other Effects of High Pressure

2.1.3.6 Future Prospects

2.2 Low-temperature Reaction

2.2.1 Topochemical Synthesis

2.2.1.1 Oxyfluorides

2.2.1.2 Other Oxyhalides

2.2.1.3 Oxychalcogenides

2.2.1.4 Oxyhydrides

2.2.1.5 Hydride-exchange Reaction

2.2.1.6 Kinetic Discussion

2.2.1.7 Conclusion

2.2.2 Solvothermal Synthesis

2.2.2.1 Definition and Historical Background

2.2.2.2 Reaction Vessel124

2.2.2.3 Synthesis of Fluorine-containing Mixed-anion Compounds128

2.2.2.4 Synthesis of Oxynitrides

2.2.2.5 Synthesis of Other Mixed-anion Compounds

2.2.2.6 Development of New Mixed-anion Compounds

2.2.2.7 Future Directions and Perspectives

2.2.3 Synthesis of Thin Films for Mixed-anion Compounds

2.2.3.1 Introduction

2.2.3.2 Thin Film Growth Methods

2.2.3.2.1 Sputtering Method

2.2.3.2.2 PLD Method

2.2.3.3 Thin Film Characterization Methods

2.2.3.4 Epitaxial Growth

2.2.3.4.1 Lattice Matching and Epitaxial Strain

2.2.3.4.2 Low-temperature Synthesis and Metastable Phase Synthesis by Vapor Phase Epitaxy

2.2.3.4.3 Reactive Solid Phase Epitaxy (R-SPE)

2.2.3.4.4 Synthesis of Metastable Phases Through Lattice Matching

2.2.3.4.5 Anion Arrangement Control by Epitaxial Strain

2.2.3.5 Synthesis of Mixed-anion Thin Films by Topochemical Reaction

2.2.3.6 Synthesis of Non-crystalline Mixed-anion Thin Films

2.2.3.7 Conclusion and Future Prospects

Chapter 3 Techniques for Structural Characterization of Mixed-anion Compounds

3.1 Crystal Structure Analysis Through Diffraction Methods

3.1.1 Introduction

3.1.2 Distinguishing Anions in Mixed-anion Compounds Through Diffraction.

3.1.3 Structural Analysis of Hydrogen-containing Mixed-anion Compounds

3.1.4 Crystal Structures and Order/Disorder in Oxynitrides

3.1.5 Oxyfluorides

3.1.6 Oxysulfides

3.1.7 Compounds with Sulfide and Halide Anions

3.2 Electron Microscopy (TEM, EELS, and EDS)

3.2.1 Introduction

3.2.2 STEM Imaging

3.2.3 Elemental Analysis Using Inelastic Scattering

3.2.3.1 Electron Energy-loss Spectroscopy (EELS)

3.2.3.2 Energy Dispersive Spectroscopy (EDS)

3.2.4 Examples with Complex Interfaces, Phase Boundaries and Morphologies

3.2.4.1 Atomic Structures of Interfaces

3.2.4.2 Microphase Separation

3.2.5 Conclusion

3.3 Spectroscopy

3.3.1 Vibrational Spectroscopy and Ultraviolet-visible Spectroscopy

3.3.2 Nuclear Magnetic Resonance

3.3.2.1 Crystal Structure Analysis

3.3.2.2 Evaluation of Cis/Trans Coordination

3.3.2.3 NMR in the H−/H+ Coexistence System

3.3.2.4 19F and 31P NMR

3.3.2.5 14N NMR

3.3.2.6 Application of NMR on Metallic Materials

3.3.2.7 Conclusion and Future Prospects

3.3.3 Electron Spin Resonance

3.3.3.1 Magnetism of Molecular Anions

3.3.3.2 Identification of Anion Species in Cage Compounds

3.3.3.3 Conclusion and Prospects

3.3.4 X-ray Absorption Spectroscopy

3.3.4.1 XANES on Cations

3.3.4.2 XANES on Mixed-anion Compounds

3.3.4.3 XANES on Anions

3.3.5 Conclusion

3.4 Composition Analysis

3.4.1 Thermal Analysis/Evolved Gas Analysis

3.4.2 Ion Beam Analysis (ERDA and NRA)

3.4.2.1 Elastic Recoil Detection Analysis (ERDA)

3.4.2.1.1 Hydrogen Quantification in Oxyhydrides Through ERDA

3.4.2.1.2 Anion Quantification in Mixed-anion Compounds Through Heavy Ion ERDA

3.4.2.2 Nuclear Reaction Analysis (NRA or NRD)

3.4.2.2.1 Composition Analysis of Mixed-anion Compounds Through NRA

References.

Chapter 4 Functions and Applications of Mixed-anion Compounds

4.1 Mixed-anion Phosphors

4.1.1 Lanthanoids as Luminescence Centers

4.1.1.1 Properties

4.1.1.2 Optical Transition of Lanthanoid Ions

4.1.1.2.1 5d-4f Transition

4.1.1.2.2 4f-4f Transition

4.1.2 Mixed-anion Compounds as Host Materials of Phosphors

4.1.3 Mixed-anion Phosphors

4.1.3.1 Background

4.1.3.2 Phosphors Utilizing the 5d-4f Transition of Lanthanoid Elements

4.1.3.2.1 Oxynitrides

4.1.3.2.2 Oxysulfides

4.1.3.2.3 Oxyhalides

4.1.3.2.4 Oxyhydrides

4.1.4 Theoretical Progress

4.2 Photocatalyst Function of Mixed-anion Compounds

4.2.1 Introduction

4.2.2 Photocatalysis

4.2.2.1 Basic Principles of Semiconductor Photocatalysis

4.2.2.2 Control of Band Structures in Mixed-anion Photocatalysts Using the Anion p-Orbital

4.2.2.3 d0-Type Transition Metal Oxynitrides

4.2.2.4 d10-Type Transition Metal Oxynitrides

4.2.2.5 Oxysulfides

4.2.2.6 Oxyhalides

4.2.2.7 Pb-Ti-based Oxyfluorides

4.2.3 Other Catalytic Functions

4.2.4 Conclusion

4.3 Mixed-anion Compounds as Battery Materials

4.3.1 Introduction

4.3.2 Mixed Anions in Cation Batteries - Focus on Lithium-ion Battery Materials

4.3.2.1 Electrode Materials

4.3.2.2 Solid Electrolyte Materials

4.3.3 Possibilities of Anion Batteries Unveiled by Mixed-anion Compounds

4.3.3.1 Intercalation Reaction of Fluoride Ions

4.3.3.2 Chloride Ionic Conductors

4.3.4 Hydride Ion Conductors

4.4 Electronic Properties of Mixed-anion Compounds

4.4.1 Superconductivity

4.4.1.1 Copper Oxyhalide

4.4.1.2 Iron-based Superconductors

4.4.1.3 Other Mixed-anion Superconductors

4.4.2 Magnetism

4.4.2.1 1111-Type LaMPnO

4.4.2.2 Perovskite-type Oxyhydrides

4.4.2.3 Other Mixed-anion Magnetic Compounds

4.4.3 Thermoelectric Conversion.

4.4.3.1 Bi2Te3-based Mixed-anion Compounds

4.4.3.2 Oxychalcogenides

4.4.4 Recent Developments in the Electronic Properties of Mixed-anion Compounds

Chapter 5 Theoretical Calculations of Mixed-anion Compounds

5.1 First-principles Calculations

5.1.1 Overview of First-principles Calculations

5.1.1.1 Adiabatic Approximation (Born-Oppenheimer Approximation)

5.1.1.2 One-electron Approximation (Mean Field Approximation)

5.1.2 Band Structure Calculations of Solids Based on Density Functional Theory

5.1.2.1 Crystal Structure

5.1.2.2 Electronic Structure

5.1.2.3 Energy

5.1.2.4 Linear Response

5.2 Exploration of Stable Structures

5.2.1 Diverse Mixed-anion Compound Structures and the Corresponding Physical Properties

5.2.2 Exploration of Stable Structures Through Theoretical Calculations

5.2.2.1 Comprehensive/Systematic First-principles Calculations

5.2.2.2 Estimation of the Most Stable Structure Through Pauling's Second Rule

5.2.2.3 Calculation of Materials with Multiple Possible Arrangements

5.2.2.4 Programs for Theoretical Calculations

5.3 Ionic Dynamics

5.4 Electronic Structure

5.4.1 Low Symmetry Crystal Field Splitting

5.4.2 Bonds Mediated by Different Anion Species

5.4.3 Madelung Potential Analysis

Appendix A Principles and Essentials of NMR for Solid-state Chemistry

Appendix B Principles and Foundations of ESR for Solid-state Chemistry

Appendix C Basic Parameters of Anion-forming Elements and Their Ions

Subject Index.

Notes:

Description based on publisher supplied metadata and other sources.

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ISBN:

9781839166372

1839166371

9781839166389

183916638X

OCLC:

1428296433