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Cover -- Title Page -- Copyright -- Contents -- Preface -- Part I Anodes -- Chapter 1 Graphite as an Anode Material in Sodium‐Ion Batteries -- 1.1 Introduction -- 1.2 Graphite and Graphite Intercalation Compounds (GICs) -- 1.3 Graphite as Negative Electrode in LIBs and SIBs -- 1.3.1 Graphite in Lithium‐Ion Batteries, Li‐rich b‐GICs -- 1.3.2 Problems in Using Graphite in Sodium‐Ion Batteries (The Lack of Na‐rich b‐GICs) -- 1.3.3 Solution to Use Graphite in Sodium‐Ion Batteries (Utilizing Na‐rich t‐GICs) -- 1.4 Recent Development in Using Graphite for SIBs -- 1.4.1 Lattice and Electrode Expansion During Cycling -- 1.4.2 Influence of the Electrolyte -- 1.4.3 Influence of Temperature -- 1.4.4 Physicochemical Properties -- 1.4.5 Solid Electrolyte Interphase (SEI) -- 1.4.6 Increasing the Capacity -- 1.5 Outlook -- References -- Chapter 2 Hard Carbon Anodes for Na‐Ion Batteries -- 2.1 Introduction -- 2.2 Structure Characteristics of Hard Carbons -- 2.3 Characterization of Hard Carbon Materials for Na‐Ion Batteries -- 2.3.1 Determining the Carbon Interlayer Spacing and the Degree of Disorder -- 2.3.2 Characterizations of Defects -- 2.3.3 Porosity Characterization -- 2.3.4 Surface Composition and Electrode-Electrolyte Interface Characterization -- 2.3.5 Other In/Ex Situ Characterization Techniques to Elucidate Structure-Performance Correlations -- 2.4 Sodium Storage Mechanisms in Hard Carbons -- 2.5 Types of Hard Carbon Anodes for Na‐Ion Batteries -- 2.5.1 Biomass‐Derived Hard Carbons -- 2.5.2 Heteroatom‐Doped Hard Carbons -- 2.5.2.1 Nitrogen Doping -- 2.5.2.2 Boron, Sulfur, and Phosphorus Doping -- 2.5.2.3 Oxygen Doping -- 2.5.2.4 Multiatom Doping -- 2.5.3 Other Hard Carbons -- 2.5.4 The Combination of Hard and Soft Carbons -- 2.6 Conclusions and Outlook -- References -- Chapter 3 Alloy Anodes for Sodium‐Ion Batteries -- 3.1 Introduction.
3.2 Challenges Faced by Alloy‐Typed Anodes -- 3.2.1 Volume Expansion -- 3.2.2 Unstable Solid Electrolyte Interphase Layer -- 3.2.3 Voltage Hysteresis -- 3.2.4 Elucidation of the Electrochemical Reaction Mechanisms -- 3.3 Strategies Toward High‐Performance Alloy Anodes -- 3.3.1 Nanostructuring -- 3.3.2 Morphological and Electrode Architectural Control -- 3.3.3 Structural Engineering -- 3.3.4 Surface Engineering -- 3.3.5 Hybrid Composite Design -- 3.4 Modification of Alloy Anodes -- 3.4.1 Phosphorus -- 3.4.1.1 Red Phosphorus -- 3.4.1.2 Black Phosphorus -- 3.4.2 Silicon -- 3.4.3 Tin -- 3.4.4 Germanium -- 3.4.5 Antimony -- 3.4.6 Bismuth -- 3.4.7 Intermetallic Compounds -- 3.5 Summary and Outlook -- References -- Part II Cathodes -- Chapter 4 Sodium Layered Oxide Cathode Materials -- 4.1 Introduction -- 4.1.1 Structure Types -- 4.1.2 High‐Voltage Nickel‐Based Sodium Layered Oxides -- 4.1.2.1 Introduction -- 4.1.2.2 Unary Ni Layered Oxides -- 4.1.2.3 Binary Ni/Fe‐Based Layered Oxides -- 4.1.2.4 Binary Ni/Mn‐Based Layered Oxides -- 4.1.2.5 Conclusions and Outlook -- 4.1.3 Low‐Cost Mn and Fe‐Based Sodium Layered Oxides -- 4.1.3.1 Introduction -- 4.1.3.2 Unary Mn and Fe Layered Oxides -- 4.1.3.3 Binary Mn/Fe‐Based Layered Oxides -- 4.1.3.4 Doped Binary Mn/Fe Layered Oxides -- 4.1.3.5 Conclusions and Outlook -- 4.1.4 Layered Oxides with Anionic Redox Reactions -- 4.1.4.1 Introduction -- 4.1.4.2 Structural Approaches to Enhance Oxygen Redox and Its Reversibility -- 4.1.4.3 Conclusions -- 4.1.5 Conclusions and Future Outlook -- References -- Chapter 5 Phosphate‐Based Polyanionic Sodium‐Ion Electrode Materials -- 5.1 Introduction -- 5.2 Phosphate‐Based Electrode Materials -- 5.2.1 Sodium Transition Metal Phosphates (PO43−) -- 5.2.2 Sodium Transition Metal Metaphosphates (PO43−)3 -- 5.2.3 Sodium Transition Metal Pyrophosphate (P2O74−).
5.2.4 Sodium Transition Metal Oxyphosphate (OPO4) -- 5.2.5 Sodium Transition Metal Fluorophosphates -- 5.2.5.1 NaMPO4F (M & -- equals -- V) -- 5.2.5.2 Na2MPO4F (M & -- equals -- Fe, Mn, Co, Ni,) -- 5.2.6 Sodium‐Fluorinated Vanadium Oxyphosphates Na3V2(PO4)2F3−xOx (0 ≤ x2) -- 5.2.7 Sodium Transition Metal Nitridophosphates Na2MII2(PO3)3N and Na3MIII(PO3)3N -- 5.3 Mixed Polyanion‐Based Electrode Materials -- 5.3.1 Mixed Transition Metal Phosphates-Pyrophosphates [(PO4)(P2O7)] -- 5.3.1.1 Na4M3(PO4)2P2O7 -- 5.3.1.2 Na7M4(P2O7)4PO4 -- 5.3.2 Mixed Transition Metal Carbonates-Phosphates [(CO3)(PO4)] -- 5.4 Summary and Perspectives -- Acknowledgments -- References -- Chapter 6 Prussian Blue Electrodes for Sodium‐Ion Batteries -- 6.1 Introduction -- 6.2 Structural and Bonding -- 6.3 Factors Affecting Electrochemical Behavior -- 6.3.1 Structural Transitions -- 6.3.2 Vacancies and Water -- 6.4 Synthetic Strategies -- 6.4.1 Solution Precipitation Method -- 6.4.2 Hydrothermal Method/Solvothermal -- 6.4.3 Electrodeposition -- 6.5 Aqueous SIBs -- 6.5.1 Single Redox PBAs -- 6.5.2 Multielectron Redox PBAs -- 6.5.3 All PBA Full Aqueous SIBs (ASIBs) -- 6.6 Non‐aqueous SIBs -- 6.6.1 NaxM[Fe(CN)6] - Single Redox Site -- 6.6.2 NaxM[Fe(CN)6] - Multiredox Sites -- 6.6.3 NaxM[A(CN)6] - Changing C‐Coordinated Metal -- 6.7 Commercial Feasibility -- 6.8 Challenges and Future Directions -- References -- Part III Advanced Characterization of Na‐Ion Battery Electrodes -- Chapter 7 Understanding Na‐Ion Batteries on the Atomic Scale Through Operando X‐ray and Neutron Scattering -- 7.1 The Importance and Advantages of Operando Studies -- 7.2 Operando Powder X‐ray Diffraction -- 7.2.1 Choice of X‐ray Source and Detector -- 7.2.2 Design of Operando PXRD Cells -- 7.2.3 Constructing the Na‐Ion Battery Stack for Operando PXRD Studies -- 7.2.3.1 Electrode of Interest.
7.2.3.2 Counter Electrode -- 7.2.3.3 Separator -- 7.2.3.4 Electrolyte -- 7.2.4 PXRD Data Analysis -- 7.3 Examples of Operando PXRD Studies of Na‐Ion Batteries -- 7.4 Other Operando Techniques Providing Structural Information -- 7.4.1 Powder Neutron Diffraction -- 7.4.2 Total Scattering and Pair Distribution Function Analysis of Local Atomic Structures -- References -- Chapter 8 NMR Investigations of Sodium‐Ion Batteries -- 8.1 Introduction -- 8.2 NMR Interactions for Battery Materials -- 8.2.1 The Quadrupolar Interaction -- 8.2.2 The Paramagnetic Interaction -- 8.2.3 The Knight Shift -- 8.3 Acquisition of NMR Spectra of Battery Materials -- 8.3.1 Magic Angle Spinning -- 8.3.2 Ex situ NMR of Battery materials -- 8.3.3 In situ/Operando NMR Measurement of Electrochemical cells -- 8.4 Examples -- 8.4.1 Na Insertion into Carbon‐based Anodes -- 8.4.1.1 Formation and Dynamics of Ternary Na-Diglyme Graphite Intercalation Compounds -- 8.4.1.2 Determining the Sodiation Mechanism of Hard Carbons -- 8.4.2 Solid‐State NMR Investigations of Cathode Materials -- 8.4.2.1 Intergrowth Structure and Evolution in β‐NaMnO2 -- 8.4.2.2 Na (de)insertion in Na3V2(PO4)2F3 -- 8.4.3 Degradation of NaPF6‐based Electrolytes -- 8.5 Conclusions and Future Outlook -- References -- Chapter 9 Computational Studies on Na‐Ion Electrode Materials -- 9.1 Introduction -- 9.2 Density Functional Theory and Molecular Dynamics Simulations -- 9.2.1 Approximations in DFT Simulations -- 9.2.2 Adsorption and Intercalation Energy -- 9.2.3 Phase Stability -- 9.2.4 Voltage Profile -- 9.2.5 Sodium Migration and Diffusion -- 9.3 Cathode Materials -- 9.3.1 Layered Cathode Materials -- 9.3.2 Sodium‐Polyanionic Cathode Materials -- 9.3.3 Prussian Blue Analogues -- 9.4 Anode Materials -- 9.4.1 Carbon‐based Anode Materials -- 9.4.2 2D Anode Materials -- 9.4.3 Layered Anode Materials.
9.4.4 Alloying NIB Anodes -- 9.5 Summary -- Acknowledgements -- References -- Chapter 10 Pair Distribution Function Analysis of Sodium‐Ion Batteries -- 10.1 Introduction to Total‐Scattering and the Pair Distribution Function -- 10.1.1 Conventional Crystallographic Analysis and Total‐Scattering -- 10.1.2 The Pair Distribution Function -- 10.1.3 Experimental Methods to Obtain the Pair Distribution Function -- 10.1.4 Data Collection Methods for Battery Materials -- 10.1.4.1 Sample Containers for X‐ray PDF Analysis -- 10.1.4.2 Experimental Strategies -- 10.2 Analyzing the Pair Distribution Function -- 10.2.1 Model‐Independent Analyses -- 10.2.1.1 Parametric Studies and Differential PDFs (dPDFs) -- 10.2.2 Modeling the PDF -- 10.2.2.1 Small‐Box Modeling -- 10.2.2.2 Big‐Box Modeling -- 10.3 Pair Distribution Function Analysis of Sodium‐Ion Battery Materials -- 10.3.1 Hard Carbon Anodes -- 10.3.2 Tin Anodes -- 10.3.3 Antimony Anodes -- 10.3.4 Local Cation Order in Na(Ni2/3Sb1/3)O2 -- 10.3.5 Birnessite Materials -- 10.3.6 Electrolytes -- 10.4 Future Horizons for Pair Distribution Function Analysis of Sodium‐Ion Batteries -- References -- Part IV Electrolytes -- Chapter 11 Ester‐ and Ether‐Based Electrolytes for Na‐Ion Batteries -- 11.1 Introduction -- 11.2 Ester‐Based Electrolytes for NIBs -- 11.3 Ether‐Based Electrolytes for NIBs -- 11.4 Summary and Perspectives -- References -- Chapter 12 Ionic Liquid and Polymer‐Based Electrolytes for Sodium Battery Applications -- 12.1 Introduction -- 12.2 Na‐Ion‐Based Ionic Liquid Electrolytes -- 12.2.1 The Chemistry and Physicochemical Properties of IL Electrolytes -- 12.2.2 IL Electrolytes Application in Na Secondary Batteries -- 12.2.3 Interfacial Studies of Sodium‐Ion Secondary Batteries Using IL Electrolytes -- 12.3 Solid Gel Polymer Electrolytes -- 12.4 Molecular Simulation of Na Battery Electrolytes.
12.4.1 Physicochemical Properties of the Sodium Ion.
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Sodium-ion batteries : energy storage materials and technologies / / Yang Yu
