Lithium-Ion Batteries and Solar Cells: Physical, Chemical, and Materials Properties

Cover
Half Title
Title Page
Copyright Page
Table of Contents
Preface
Acknowledgments
Editors
Contributors
Chapter 1 Introduction
	1.1 Introduction
	References
Chapter 2 Diverse Phenomena in Stage-n Graphite Alkali-Intercalation Compounds
	2.1 Introduction
	2.2 Theoretical Calculations
	2.3 Unique Stacking Configurations and Intercalant Distributions
	2.4 Metallic and Semimetallic Behaviors
	2.5 Concluding Remarks
	References
Chapter 3 Effect of Nitrogen Doping on the Li-Storage Capacity of Graphene Nanomaterials: A First-Principles Study
	3.1 Introduction
	3.2 Computational Details
	3.3 Results and Discussion
		3.3.1 Formation Energy of N-Doped Defects in Graphene
		3.3.2 Single Li-Adsorption on N-Doped Defects in Graphene
		3.3.3 Li-Storage Capacity of N-Doped Defective Graphene
		3.3.4 Migration Energy Barrier of N-Doped Defects in Graphene
	3.4 Conclusion
	References
Chapter 4 Fundamental Properties of Li[sub(+)]-Based Battery Anode: Li[sub(4)]Ti[sub(5)]O[sub(12)]
	4.1 Introduction
	4.2 Theoretical Simulation Methods
	4.3 Rich Geometric Symmetries of 3D Li[sub(4)]Ti[sub(5)]O[sub(12)] Compound
	4.4 Rich and Unique Electronic Properties
	4.5 Concluding Remarks
	References
Chapter 5 Diversified Properties in 3D Ternary Oxide Compound: Li[sub(2)]SiO[sub(3)]
	5.1 Introduction
	5.2 Numerical Simulations
	5.3 Results and Discussion
		5.3.1 Geometric Structures
		5.3.2 Rich Electronic Properties
		5.3.3 Comparisons, Measurements, and Applications
	5.4 Concluding Remarks
	References
Chapter 6 Electrolytes for High-Voltage Lithium-Ion Battery: A New Approach with Machine Learning
	6.1 Introduction
	6.2 Metrics for Molecular Selection
	6.3 Experiments, First-Principles Calculation, and Machine Learning
	6.4 Machine Learning Regression Model and Property Predictor
	6.5 Property Predictor
	6.6 Inverse Design and Deep Generative Machine Learning Model
	6.7 Data
	6.8 Our Adapted Model and Experience
	6.9 Conclusions
	References
Chapter 7 Geometric and Electronic Properties of Li[sup(+)]-Based Battery Cathode: Li[sub(x)]Co/NiO[sub(2)]Compounds
	7.1 Introduction
	7.2 Delicately Numerical VASP Calculations
	7.3 Unusual Crystal Structures of 3D Ternary Li[sub(x)]Co/NiO[sub(2)] Materials
	7.4 Rich and Unique Electronic Properties
	7.5 Concluding Remarks
	References
Chapter 8 Graphene as an Anode Material in Lithium-Ion Battery
	8.1 Introduction
	8.2 Synthesis of Graphene
	8.3 Basic Characterizations of Graphene
		8.3.1 Structure and Microstructure Analysis
		8.3.2 Bonding/Binding Energy/Functional Groups and Phonon Modes
	8.4 Graphene as Anode in Lithium-Ion Batteries
		8.4.1 Graphene
		8.4.2 Doped Graphene
		8.4.3 Porous Graphene
		8.4.4 Chemically Modified Graphene for Fast-Charging Lithium-Ion Battery (LIB)
		8.4.5 Discussions
	8.5 Conclusions
	Acknowledgement
	References
Chapter 9 Liquid Plasma: A Synthesis of Carbon/Functionalized Nanocarbon for Battery, Solar Cell, and Capacitor Applications
	9.1 Introduction
	9.2 Formation of Various Forms of Nanocarbon in the Liquid Plasma Process
		9.2.1 Formation of Unconventional Polymers in the Liquid Plasma Process
		9.2.2 Direct Functionalization of Graphene in the Liquid Plasma Process
	9.3 Applications of Nanocarbons Synthesized from the Liquid Plasma Process
		9.3.1 Application Nanocarbon Hybrids/Composites for Fuel Cell Applications
		9.3.2 Application Nanocarbon Hybrids/Composites for Specific Capacitance Applications
	9.4 Future Prospective
	Acknowledgment
	References
Chapter 10 Ionic Liquid-Based Electrolytes: Synthesis and Characteristics and Potential Applications in Rechargeable Batteries
	10.1 Overview
		10.1.1 Definition
		10.1.2 Classification
	10.2 Some Concepts of IL-Based Electrolytes for Li–Ion/Na–Ion Batteries
		10.2.1 Low-Melting Alkaline Salts
			10.2.1.1 Low-Melting lithium Salts
			10.2.1.2 Mixtures of Alkaline Imide Salts
		10.2.2 Alkaline Salts Dissolved in Organic Ionic Liquids
			10.2.2.1 Effects of Cation Structure
			10.2.2.2 Effects of Anion Structure
			10.2.2.3 Effect of Organic Solvent Added to ILs
		10.2.3 Solvent-in-Salt Electrolytes
		10.2.4 Li[sup(+)]-Conducting Polymer Electrolytes Containing Ionic Liquids
	10.3 Synthesis of Ionic Liquids
		10.3.1 Typical Ionic Liquid Synthetic Route
			10.3.1.1 Synthetic Route 1 (Quaternization)
			10.3.1.2 Metathesis Reaction
	10.4 Applying ILs for Li–Ion/Na–Ion Batteries
	References
Chapter 11 Imidazolium-Based Ionogels via Facile Photopolymerization as Polymer Electrolytes for Lithium–Ion Batteries
	11.1 Introduction
	11.2 Experiment
		11.2.1 Materials
		11.2.2 Synthesis of Prepolymer, 1-Ethyl-3-Vinylimidazolium Bis (Trifluoromethanesulfonylimide) (1E3V-TFSI)
		11.2.3 Anion Substitution of IL Additive
		11.2.4 Preparation of Electrolytes
		11.2.5 Sample Characterization
		11.2.6 Ionic Conductivity and Linear Sweep Voltammetry (LSV) of Measurement
		11.2.7 Battery Cell Assembly
		11.2.8 Charge–Discharge Performance and Cycle Life
	11.3 Results and Discussion
		11.3.1 Preparation and Characterization
		11.3.2 Thermal Properties of Electrolytes
		11.3.3 Ionic Conductivity and Electrochemical Windows
		11.3.4 Charge–Discharge Capacity and Cyclic Performance
	11.4 Conclusion
	References
Chapter 12 Back-Contact Perovskite Solar Cells
	12.1 Introduction
	12.2 Coplanar Back-Contact Structure
	12.3 Non-Coplanar Back-Contact Structure
	12.4 Conclusion
	References
Chapter 13 Engineering of Conductive Polymer Using Simple Chemical Treatment in Silicon Nanowire-Based Hybrid Solar Cells
	13.1 Introduction
	13.2 PEDOT:PSS with Tunable Electrical Conductivity
		13.2.1 PEDOT:PSS Fabricated by “Baytron P” Routes
		13.2.2 PSS Functions in Commercial PEDOT:PSS Complex
		13.2.3 PSS Investigations of Electrical Conductivity in PEDOT:PSS
	13.3 Treated PEDOT:PSS for Silicon Nanowires-Based Hybrid Solar Cells
	13.4 Conclusion
	Acknowledgment
	References
Chapter 14 Concluding Remarks
	References
Chapter 15 Open Issues and Potential Applications
	References
Chapter 16 Problems
	References
Index