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Chapter 1 - An Introduction to Crystal Structures Jennifer E. Readman and Lesley E. Smart
1.1 Introduction
1.2 Close packing
1.3 Body-centred and Primitive Structures
1.4 Lattices and Unit Cells
1.4.1 Lattices
1.4.2 One- and Two- Dimensional Unit Cells
1.4.3 Three-Dimensional Lattices and Their Unit Cells
1.5 Crystalline solids
1.5.1 Unit cell stoichiometry and Fractional Coordinates
1.5.2 Ionic Solids with Formula MX
1.5.2.1 Caesium Chloride
1.5.2.2 Sodium Chloride
1.5.2.3 Zinc Blende & Wurtzite
1.5.2.4 Nickel Arsenide
1.5.3 Solids with General Formula MX2
1.5.3.1 Fluorite and Anti-Fluorite
1.5.3.2 Cadmium Chloride and Cadmium Iodide
1.5.3.3 Rutile
1.5.3.4 -Cristobalite
1.5.4 Other Important Crystal Structures
1.5.4.1 Rhenium trioxide
1.5.4.2 Perovskite
1.5.4.3 Spinel and Inverse Spinel
1.5.5 Miscellaneous Oxides
1.6 Ionic Radii and the Radius Ratio Rule
1.7 Extended Covalent Arrays
1.8 Molecular Structures
1.9 Lattice Energy
1.9.1 Born-Haber Cycle
1.9.2 Calculating Lattice Enthalpies
1.9.3 Calculations Using Thermodynamic Cycles and Lattice Energies
1.10 Symmetry
1.10.1 Symmetry Notation
1.10.2 Axes of Symmetry
1.10.3 Planes of Symmetry
1.10.4 Inversion
1.10.5 Inversion Axes, Improper Symmetry Axes, and the Identity Element
1.10.6 Operations
1.10.7 Symmetry in Crystals
1.10.8 Translational Symmetry Elements
1.10.9 Space groups
1.11 Miller Indices and Interplanar spacing
1.12 Quasicrystals Summary. Questions
Chapter 2 Scattering Techniques for Characterising Solids Jennifer E. Readman
2.1 Introduction
2.2 X-ray Diffraction
2.2.1 The Generation of X-rays
2.2.2 Scattering of X-rays & Bragg''s Law
2.2.3 The Diffraction Experiment
2.2.4 The Powder Diffraction Pattern
2.2.5 The Intensity of Diffracted Peaks
2.2.6 The Width of Diffracted Peaks
2.2.7 Rietveld Refinement
2.2.8 Structure & Single-Crystal Diffraction solution
2.3 Synchrotron Radiation
2.3.1 Introduction
2.3.2 Generation of Synchrotron X-rays
2.3.3 Bending Magnets and Insertion Devices
2.4 Neutron Diffraction
2.4.1 Background & Production of Neutrons
2.4.2 Neutron scattering
2.4.3 Experimental Neutron Diffraction
2.4.4 Magnetic Scattering
2.5 Pair Distribution Function Analysis (PDF)
2.5.1 Introduction
2.5.2 Theoretical background
2.5.3 The Total Scattering Experiment
2.6 In-situ Experiments
2.6.1 Variable Temperature
2.6.2 Variable Pressure
2.7 Free Electron Lasers (XFELs)
2.7.1 Introduction
2.7.2 How XFEL X-rays Are Generated
2.7.3 Typical XFEL Experiments Appendix Allowed reflections for simple cubic cells Questions
Chapter 3 - Non-Scattering Characterisation Techniques Jennifer E. Readman
3.1 Introduction
3.2 Electron Microscopy
3.2.1 Scanning Electron Microscopy (SEM}
3.2.2 Transmission Electron Microscopy (TEM)
3.2.3 Electron Diffraction (ED)
3.2.4 Scanning Transmission Electron Microscopy (STEM)
3.2.5 Energy Dispersive X-Ray Analysis (EDS / EDX)
3.2.6 Electron Energy Loss Spectroscopy (EELS)
3.2.7 Scanning Tunnelling Microscopy (STM) & Atomic Force Microscopy (AFM)
3.3 X-ray Spectroscopy
3.3.1 Introduction
3.3.2 X-ray Fluorescence Spectroscopy (XRF)
3.3.3 X-ray Absorption Spectroscopy
3.3.4 EXAFS
3.3.5 XANES
3.3.6 Experimental XAS
3.3.7 X-ray Photoelectron Spectroscopy (XPS)
3.4 Solid State NMR
3.4.1 Introduction
3.4.2 29-Si MAS NMR
3.4.3 Quadrupolar nuclei
3.5 Surface Area Measurements
3.5.1 Gas Adsorption Isotherms
3.5.2 Classification of Isotherms
3.6 Thermal Analysis
3.6.1 Thermogravimetric analysis (TGA)
3.6.2 Differential Thermal Analysis (DTA)
3.6.3 Differential Scanning Calorimetry (DSC)
3.6.4 Temperature Programmed Reduction (TPR) & Temperature Programmed Desorption (TPD) Summary for chapters 2 and 3, Questions
Chapter 4 Synthesis Elaine A. Moore and Lesley E. Smart
4.1 Introduction
4.2 High-Temperature Ceramic Methods
4.2.1 Direct Heating of Solids
4.2.2 Precursor Methods
4.2.3 Sol-Gel Methods
4.3. High-Pressure Methods
4.3.1. Using High-Pressure Gases
4.3.2. Using Hydrostatic Pressures
4.4. Chemical Vapour Deposition
4.4.1. Preparation of Semiconductors
4.4.2. Diamond Films
4.4.3 Optical Fibres
4.5. Preparing Single Crystals
4.5.1 Epitaxy Methods
4.5.2 Chemical Vapour Transport
4.5.3. Melt Methods
4.5.4 Solution Methods
4.6. Intercalation
4.7. Green Chemistry
4.7.1. Mechanochemical Synthesis
4.7.2. Microwave Synthesis
4.7.3. Hydrothermal Methods
4.7.4. Ultrasound-assisted synthesis
4.7.5 Biological-related methods
4.7.
6. Barium Titanate
4.8. Choosing a Method
Chapter 5 Solids:Bonding and Electronic Properties Elaine A. Moore and Neil Allan
5.2. Bonding in Solids: Free electron theory
5.2.1. Electronic conductivity
5.1 Introduction
5.3. Bonding in Solids: Molecular Orbital Theory
5.3.1. Simple Metals
5.3.2. Group 14 elements
5.4. Semiconductors
5.4.1. Photoconductivity
5.4.2. Doped Semiconductors
5.5. p-n junction and field effect transistors
5.5.1. Flash Memory
5.6. Bands in compounds: Gallium Arsenide
5.7. Bands in d-block compounds: transition metal monoxides
5.8. Superconductivity
5.8.1. BCS Theory of superconductivity
5.8.2. High temperature superconductors: cuprates
5.8.3. Iron superconductors
5.9. Summary Questions
Chapter 6 Defects and Non-stoichiometry Elaine A. Moore and Lesley E. Smart
6.1. Introduction
6.2 Point Defects and Their Concentration
6.2.1 Intrinsic Defects
6.2.2 Concentration of Defects
6.2.3 Extrinsic Defects
6.2.4 Defect Nomenclature
6.3 Nonstoichiometric Compounds
6.3.1 Nonstoichiometry in Wüstite (FeO) and MO-Type Oxides
6.3.2 Uranium Dioxide
6.3.3 Titanium Monoxide Structure
6.4 Extended Defects
6.4.1 Crystallographic shear
6.4.2 Planar Intergrowths
6.4.3 Block Structures
6.4.4 Pentagonal Columns
6.4.5 Infinitely Adaptive Structures
6.5 Properties of Nonstoichiometric Oxides
6.5.1. Transition metal monoxides
6.6 Summary Questions
Chapter 7 Batteries and Fuel Cells Elaine A. Moore and Lesley E. Smart
7.1. Introduction
7.2. Ionic conductivity in solids
7.3. Solid electrolytes
7.3.1 Silver-ion conductors
7.3.2. Lithium-ion conductors
7.3.3. Sodium-ion conductors
7.3.4. Oxide-ion conductors
7.4. Lithium-based batteries
7.5. Sodium-based batteries
7.6. Fuel cells
7.6.1. Solid oxide fuel cells
7.6.2. Proton Exchange Membrane cells
7.7. Summary Questions
Chapter 8 Microporous and Mesoporous solids Jennifer E. Readman (and Lesley E. Smart ?)
8.1. Introduction
8.2 Silicates
8.3. Zeolites
8.3.1. Background
8.3.2. Composition and Structure of Zeolites.
8.3.3. Zeolite Nomenclature
8.3.4. Si/Al ratios in Zeolites
8.3.5. Exchangeable Cations
8.3.6 Synthesis of Zeolites
8.3.7. Uses of Zeolites
8.4. Zeotypes
8.4.1. Aluminophosphates
8.4.2. Mixed Coordination Metallosilicates
8.5. Metal-Organic Frameworks (MOFs)
8.5.1. Composition and Structure of MOFs
8.5.2. Example MOF Structures
8.5.3. Breathing MOFs
8.5.4. Synthesis of MOFs
8.5.5. Applications of MOFs
8.6. Zeolite-like MOFs
8.7. Covalent Organic Frameworks
8.8. Mesoporous Silicas
8.9. Clays Summary Questions
Chapter Optical 9 and Thermal Properties of Solids Elaine A. Moore
9.1 Introduction
9.2. Interaction of Light with atoms
9.2.1. Ruby Laser
9.2.2. Phosphors for LEDs
9.3. Colour Centres
9.4. Absorption and Emission of Radiation in Continuous Solids
9.4.1. Gallium Arsenide Laser
9.4.2. Quantum Wells: Blue laser
9.4.3. Light emitting diodes (LEDs)
9.4.4. Photovoltaic (Solar) Cells
9.5. Carbon-based conducting polymers
9.5.1. Polyacetylene
9.5.2. Bonding in Polyacetylene and related polymers
9.5.3 Organic LEDs (QLEDs)
9.6. Refraction
9.6.1. Calcite
9.6.2. Optical Fibres
9.7. Photonic crystals
9.8. Thermal properties of Materials
9.8.1 Heat Capacity
9.8.2. Thermal Energy Storage
9.8.3. Thermal Expansion
9.8.4. Thermal conductivity
9.8.5 Thermal devices
9.9 Summary Questions
Chapter 10 Magnetic and Electrical Properties Elaine A. Moore
10.1. Introduction
10.2. Magnetic Susceptibility
10.3. Paramagnetism in metal complexes
10.4. Ferromagnetic Metals
10.4.1. Magnetic Domains
10.4.2 Permanent magnets
10.4.3 Magnetic Shielding
10.5. Ferromagnetic compounds: chromium dioxide
10.6. Antiferromagnetism: transition metal monoxides
10.7. Ferrimagnetism: ferrites
10.7.1. Magnetic strips on swipe cards
10.8. Spiral Magnetism 1