This book serves as a comprehensive treatment of the advanced microscopic properties of lithium- and sodium-based batteries. It focuses on the development of the quasiparticle framework and the successful syntheses of cathode/electrolyte/anode materials in these batteries.
FEATURES
- Highlights lithium-ion and sodium-ion batteries as well as lithium sulfur-, aluminum-, and iron-related batteries
- Describes advanced battery materials and their fundamental properties
- Addresses challenges to improving battery performance
- Develops theoretical predictions and experimental observations under a unified quasiparticle framework
- Targets core issues such as stability and efficiencies
Lithium-Related Batteries: Advances and Challenges will appeal to researchers and advanced students working in battery development, including those in the fields of materials, chemical, and energy engineering.
Author(s): Ngoc Thanh Thuy Tran, Wen-Dung Hsu, Jow-Lay Huang, Ming-Fa Lin
Publisher: CRC Press
Year: 2022
Language: English
Pages: 336
City: Boca Raton
Cover
Half Title
Title Page
Copyright Page
Table of Contents
Preface
Acknowledgments
Editors
Contributors
Chapter 1 Introduction
References
Chapter 2 Small Polaron–Li-Ion Complex Diffusion in the Cathodes of Rechargeable Li-Ion Batteries
2.1 Formation Mechanism of the Small Polaron
2.2 Typical Characteristics of Small Polaron
2.3 Small Polaron–Li-Ion/Vacancy Complexes Diffusion Model
2.4 Applications of the Diffusion Model to Real Cathode Materials
References
Chapter 3 Enrichment of Optical Excitations of LiFeO[sub(2)]
3.1 Introduction
3.2 Computational Details
3.3 Results and Discussion
3.4 Conclusions
Acknowledgments
References
Chapter 4 Positive Electrode Stability in Higher Voltage Region
4.1 Introduction
4.2 Surface Structure of the Coated Active Materials
4.2.1 LiNi[sub(1/3)] Co[sub(1/3)] Mn[sub(1/3)] O[sub(2)] and LiCoO[sub(2)] Coated with Al Oxide
4.2.2 LiNi[sub(1/3)] Co[sub(1/3)] Mn[sub(1/3)] O[sub(2)] Coated with Zr Oxide
4.3 Effect of Surface Coating on Charge/Discharge Characteristics in High-Voltage Region
4.4 Analysis Using Epitaxial Thin-Film Electrode
4.5 Conclusions
References
Chapter 5 Layered Cathode Materials for Sodium-Ion Batteries (SIBs): Synthesis, Structure, and Characterization
5.1 The Rechargeable Na-Ion Batteries
5.2 Structural Description of the Layered Structure
5.2.1 Crystalline Structure
5.2.2 Phase Transition and Thermodynamic Behavior
5.2.2.1 O3-Type Sodium Transition Metal Oxides
5.2.2.2 P2-Type Sodium Transition Metal Oxides
5.3 Synthesis of Sodium Layered Materials
5.3.1 Solid-State Reaction Method
5.3.2 Sol-Gel Method
5.3.3 Co-Precipitation Method
5.4 Understanding the Structure Evolution and Phase Transition
5.4.1 Ex situ and In Situ Techniques
5.4.2 Ex Situ and In Situ Techniques in the Study of Phase Transition
5.4.3 Structure and Electrochemistry Properties of Sodium Layered Structure Materials
5.4.3.1 Na[sub(x)] MO[sub(2)]
5.4.3.2 Na[sub(x)] MM'O[sub(2)]
5.4.3.3 NaNi[sub(1/3)] Mn[sub(1/3)] Co[sub(1/3)] O[sub(2)]
5.5 Concluding Remarks
References
Chapter 6 Essential Geometric and Electronic Properties in Stage-n FeCl[sub(3)] Graphite Intercalation Compounds
6.1 Introduction
6.2 Theoretical Calculations
6.3 The Stage-n Crystal Structures
6.4 Band Structures
6.5 The Orbital Hybridization
6.6 Conclusion
References
Chapter 7 Studying the Anisotropic Lithiation Mechanisms of Silicon Anode in Li-Ion Batteries Using Molecular Dynamic Simulations
7.1 Introduction
7.2 Computational Details
7.3 Results and Discussions
7.3.1 General Lithiation Behavior and Anisotropic Lithiation
7.3.2 Stress Influence on the Anisotropic Lithiation
7.4 Conclusions
References
Chapter 8 Optical Properties of Monolayer and Lithium-Intercalated HfX[sub(2)] (X = S, Se, or Te) for Lithium-Ion Batteries
8.1 Investigating Orientation in Batteries of Group IV TMDs
8.2 Structural and Electronic Properties of Monolayer HfX[sub(2)]
8.2.1 Structural Properties
8.2.2 Electronic Properties
8.3 Optical Properties
8.4 Lithium- Intercalated 1T-HfX[sub(2)]
8.5 Conclusion
References
Chapter 9 Mn-Based Oxide Nanocomposite with Reduced Graphene Oxide as Anode Material in Li-Ion Battery
9.1 Introduction
9.2 Experimental
9.2.1 Fabrication of GO, Manganese Dioxide (MnO[sub(2)]), MnO[sub(2)] /rGO, and Mn[sub(3)]O[sub(4)]/rGO Nanocomposites
9.2.2 Characterization of GO, MnO[sub(2)], MnO[sub(2)]/rGO, and Mn[sub(3)]O[sub(4)]/rGO Nanocomposites
9.2.3 Electrochemical Analysis
9.3 Results and Discussion
9.4 Conclusions
Acknowledgment
References
Chapter 10 In- situ Synthesis of Solid-State Polymer Electrolytes for Lithium- Ion Batteries
10.1 Introduction
10.2 Experimental
10.2.1 Materials
10.2.2 Synthesis of Prepolymer, Imidazolium- Based Cross-Linker (C- VIm)
10.2.3 Preparation of Solid-State Polymer Electrolytes
10.2.4 Sample Characterization
10.2.5 Ionic Conductivity and Electrochemical Stability
10.2.6 Battery Cell Assembly
10.2.7 Charge/Discharge Long- Term Cycling Performance
10.3 Results and Discussion
10.3.1 Preparation and Characterization of the Electrolytes
10.3.2 Surface Morphology
10.3.3 Thermal Property and Mechanical Stability
10.3.4 Ionic Conductivity and Electrochemical Window
10.3.5 Charge/Discharge Capacity and Cycle Performance
10.4 Conclusion
References
Chapter 11 Rich Quasiparticle Properties of Li[sub(2)]S Electrolyte in Lithium-Sulfur Battery
11.1 Introduction
11.2 3D Crystal Structure of Lithium-Sulfur Compounds
11.3 Electronic Energy Spectrum and Atom Dominances
11.4 Active Orbital Hybridization
11.5 Summary
References
Chapter 12 Diversified Quasiparticle Phenomena of P[sub(2)] S[sub(5)]: Electrolyte
12.1 Introduction
12.2 Real-and Wave-Vector-Space Lattice Symmetries
12.3 Atom-Determined Electronic Energy Spectrum and Wave Function
12.4 Significant Multi-Orbital Hybridizations: Charge Density Distribution and van Hove Singularities
12.5 Conclusions and Challenges
References
Chapter 13 Cathode/Electrolyte Interface in High-Voltage Lithium-Ion Batteries: A First- Principles Study
13.1 Introduction to Lithium-Ion Battery
13.2 Cathode Material
13.3 General Issues
13.4 Cathode Surface
13.5 Parameters for Assessment
13.6 Conventional Approach and Simulation
13.7 Our Adapted Model and Experience
13.7.1 LNMO
13.7.2 NMC
13.8 Preliminary Results and Outlook
13.8.1 LNMO
13.8.2 NMC
Acknowledgments
References
Chapter 14 Electrode/Electrolyte Interfaces in Sodium-Ion Battery: Roles, Structure, and Properties
14.1 Introduction
14.2 SEI Formation and Features
14.2.1 SEI Formation
14.2.2 SEI Structure and Components
14.2.3 Influence of SEI on the Battery Performance
14.3 Factor Affecting SEI Composition and Properties
14.3.1 Type of Electrode (Carbonaceous Electrode, Sodium Metal, Copper Foil)
14.3.2 Electrolyte Composition
14.3.3 Other Factors
14.4 Methods of Characterizing SEI/CEI
14.4.1 Surface Chemistry
14.4.1.1 Fourier Transformation Infrared Spectroscopy (FTIR)
14.4.1.2 X- Ray Photoelectron Spectroscopy (XPS)
14.4.2 Surface Morphology and Structure
14.4.3 Electrochemical Properties
14.4.4 SEI Understanding and Modeling by Theoretical Calculation
14.5 Artificial Solid Electrolyte Interphase (SEI) Layer: A Future Perspective
14.5.1 Features of Ideal SEI Layers
14.5.2 Methods to Form Artificial SEI Layer
14.5.2.1 Coated Protective Artificial Film SEI/Separator
14.5.2.2 Chemical Pretreatment
14.6 Conclusion
References
Chapter 15 Concluding Remarks
References
Chapter 16 Open Issues and Challenges
References
Chapter 17 Problems
References
Index
