Materials Modeling for High-Performance Solid-State Batteries
Autor Junhua Hu, Hongjie Xu, Jinjin Ban, Fanfan Liu, Shilin Zhangen Limba Engleză Hardback – 2 sep 2026
Solid-state batteries promise higher energy density and safety than conventional liquid-electrolyte systems, yet designing their key materials remains a significant challenge. Materials Modeling for High Performance Solid-State Batteries, authored by a team of materials scientists and electrochemists at leading Chinese research universities, applies high-throughput first-principles calculation and simulation methods to the systematic design of electrode, electrolyte, and interface materials.
The book covers material design for lithium batteries and magnesium ion batteries through computational approaches, analyzing interface problems and surface modification strategies. It details preparation methods for key battery components, electrochemical test methods, and advanced characterization techniques. Full battery assembly technology and industrial process considerations are addressed alongside the latest improvement strategies and internal mechanism analysis for solid-state systems.
The book also covers:
- High-throughput first-principles calculation methods applied to the screening and design of cathode, anode, and electrolyte materials
- Interface engineering strategies addressing dendrite suppression and solid-solid contact challenges in lithium and magnesium ion battery systems
- Surface and interface modification approaches for improving ionic conductivity and electrochemical stability in solid electrolytes
- Assembly technology and industrial process parameters for translating laboratory-scale solid-state battery designs into practical devices
- Advanced characterization methods and electrochemical testing protocols used to evaluate solid-state battery material performance and degradation
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Specificații
ISBN-13: 9783527354771
ISBN-10: 3527354778
Pagini: 272
Dimensiuni: 175 x 250 x 19 mm
Greutate: 0.67 kg
Editura: Wiley-VCH GmbH
ISBN-10: 3527354778
Pagini: 272
Dimensiuni: 175 x 250 x 19 mm
Greutate: 0.67 kg
Editura: Wiley-VCH GmbH
Notă biografică
Prof. Junhua Hu is Professor and Deputy Director for the expert committee of China Energy Society at Zhengzhou University's School of Materials Science and Engineering. His research spans nanoscience, surface science, electrocatalysis, and solid-state energy storage devices.
Dr. Hongjie Xu is Associate Professor in the School of Materials at North China University of Water Resources and Electric Power. Her research focuses on computational material simulation and key materials for lithium metal and sodium metal batteries.
Dr. Jinjin Ban is Associate Professor at Zhengzhou University's School of Materials Science and Engineering. Her research centers on new energy materials and device design, including metal-air batteries, hydrogen fuel cells, and supercapacitors.
Dr. Fanfan Liu is a postdoctoral fellow at Zhengzhou University's School of Materials Science and Engineering. Her research focuses on MXene-based nanomaterials and their applications in electrochemical energy storage and micro/nano science.
Dr. Shilin Zhang is a lecturer at Zhengzhou University's School of Materials Science and Engineering. His research interests include lithium sulfur batteries, lithium metal batteries, mineral material processing, and new adsorption functional materials.
Dr. Hongjie Xu is Associate Professor in the School of Materials at North China University of Water Resources and Electric Power. Her research focuses on computational material simulation and key materials for lithium metal and sodium metal batteries.
Dr. Jinjin Ban is Associate Professor at Zhengzhou University's School of Materials Science and Engineering. Her research centers on new energy materials and device design, including metal-air batteries, hydrogen fuel cells, and supercapacitors.
Dr. Fanfan Liu is a postdoctoral fellow at Zhengzhou University's School of Materials Science and Engineering. Her research focuses on MXene-based nanomaterials and their applications in electrochemical energy storage and micro/nano science.
Dr. Shilin Zhang is a lecturer at Zhengzhou University's School of Materials Science and Engineering. His research interests include lithium sulfur batteries, lithium metal batteries, mineral material processing, and new adsorption functional materials.
Cuprins
Preface vii
1 Solid-state Lithium-ion Batteries: Applications and Challenges 1
1.1 Background and Introduction 1
1.2 Electrochemical Principles 3
1.3 Development History 5
1.4 Research Status and Challenges 10
2 Application of High-throughput Computing in Lithium Batteries 19
2.1 First-principles Calculation Method 19
2.2 Density Functional Theory 30
2.3 Molecular Dynamics Simulations 34
2.4 Overview of Machine Learning 41
3 Designer Materials and Structure for High-performance All-solid-state Battery 61
3.1 Research on Cathode Materials 61
3.2 Types of Common Cathode Materials 63
3.3 Preparation and Properties of High-voltage Ternary Cathode Materials 72
3.4 The Development Prospect of Cathode Materials 79
4 Preparation and Application of Oxide-based Solid Electrolytes 91
4.1 Development and Challenges of Oxide-based Solid-state Electrolytes 91
4.2 Study of the Grain Boundary and Interface of Oxide-based SEs 107
4.3 Application of Thin SSEs 109
4.4 Study of Oxide-based Composite Electrolytes 111
5 Research on the Development of Sulfide Solid Electrolyte 127
5.1 Categories of Advanced Sulfide Solid Electrolytes 127
5.2 Theoretical Design of Novel Sulfide SEs 129
5.3 Intrinsic Properties of Sulfide Electrolytes 133
5.4 Study on Sulfide-based Composite Electrolyte 141
6 Research Progress of Anode Materials in Solid-state Lithium Batteries 153
6.1 Research on Anode Materials 153
6.2 Dendrite Growth Mechanism 157
6.3 Modification Strategy of Lithium Metal Anodes 160
7 Magnesium-ion Batteries: Recent Progress and Challenges 169
7.1 Background and Introduction 169
7.2 Research on Cathode Materials 171
7.3 Research on Anode Materials 180
7.4 Solid-state Electrolytes 184
7.5 Conclusion and Outlook 190
8 Advanced Characterization and Electrochemical Testing 199
8.1 Characterization Techniques in Batteries 199
8.2 Basic Introduction to Electrochemical Testing Methods 222
8.3 Other Advanced Analysis Techniques 238
9 Advanced Assembly Technology of Full Battery 255
9.1 Preparation Method of Electrode Materials 255
9.2 Development of Advanced Assembly Technology for Solid-state Batteries 256
9.3 Summary and Prospect 258
References 259
Index 261
1 Solid-state Lithium-ion Batteries: Applications and Challenges 1
1.1 Background and Introduction 1
1.2 Electrochemical Principles 3
1.3 Development History 5
1.4 Research Status and Challenges 10
2 Application of High-throughput Computing in Lithium Batteries 19
2.1 First-principles Calculation Method 19
2.2 Density Functional Theory 30
2.3 Molecular Dynamics Simulations 34
2.4 Overview of Machine Learning 41
3 Designer Materials and Structure for High-performance All-solid-state Battery 61
3.1 Research on Cathode Materials 61
3.2 Types of Common Cathode Materials 63
3.3 Preparation and Properties of High-voltage Ternary Cathode Materials 72
3.4 The Development Prospect of Cathode Materials 79
4 Preparation and Application of Oxide-based Solid Electrolytes 91
4.1 Development and Challenges of Oxide-based Solid-state Electrolytes 91
4.2 Study of the Grain Boundary and Interface of Oxide-based SEs 107
4.3 Application of Thin SSEs 109
4.4 Study of Oxide-based Composite Electrolytes 111
5 Research on the Development of Sulfide Solid Electrolyte 127
5.1 Categories of Advanced Sulfide Solid Electrolytes 127
5.2 Theoretical Design of Novel Sulfide SEs 129
5.3 Intrinsic Properties of Sulfide Electrolytes 133
5.4 Study on Sulfide-based Composite Electrolyte 141
6 Research Progress of Anode Materials in Solid-state Lithium Batteries 153
6.1 Research on Anode Materials 153
6.2 Dendrite Growth Mechanism 157
6.3 Modification Strategy of Lithium Metal Anodes 160
7 Magnesium-ion Batteries: Recent Progress and Challenges 169
7.1 Background and Introduction 169
7.2 Research on Cathode Materials 171
7.3 Research on Anode Materials 180
7.4 Solid-state Electrolytes 184
7.5 Conclusion and Outlook 190
8 Advanced Characterization and Electrochemical Testing 199
8.1 Characterization Techniques in Batteries 199
8.2 Basic Introduction to Electrochemical Testing Methods 222
8.3 Other Advanced Analysis Techniques 238
9 Advanced Assembly Technology of Full Battery 255
9.1 Preparation Method of Electrode Materials 255
9.2 Development of Advanced Assembly Technology for Solid-state Batteries 256
9.3 Summary and Prospect 258
References 259
Index 261