Materials Modeling for High Performance Solid-State Batteries

Junhua Hu is Professor and Deputy Director for the expert committee of China Energy Society, Academic Leadership of Henan Education Department, and works in School of Materials Science and Engineering, Zhengzhou University (China). His research interests include Nanoscience; Surface Science; Electrocatalysis; Solid state energy storage devices; Metal-air batteries. Hongjie Xu is currently Associate Professor in the School of Materials, North China University of Water Resources and Electric Power, China. Her main research interest is the new energy materials and devices, computational material simulation, mainly including the research of key materials for lithium metal and sodium metal batteries. Jinjin Ban is Associate Professor at the school of Materials Science and Engineering, Zhengzhou University, China. Her research interest is the design of new energy materials and devices application, mainly including metal air battery, hydrogen fuel cell, electrolysis water device, super capacitor. Fanfan Liu is currently a postdoctoral fellow at the School of Materials Science and Engineering, Zhengzhou University, China. Her main research interests include new energy materials and devices, micro/nano science and technology, design of two-dimensional transition metal carbide (MXene)-based nanomaterials and their applications in electrochemical energy storage. Shilin Zhang is a lecturer in the School of Materials Science and Engineering at Zhengzhou University, China. His research interests include mineral material processing and application, lithium sulfur battery, lithium metal battery, new adsorption functional materials.

• Chapter 1: Solid-state lithium-ion batteries: Application and challenge1.1 Background and Introduction1.2 Electrochemical principle1.3 History of development1.4 Research status and challengesReference Chapter 2: Applications of high-throughput computing in lithium battery2.1 First-principles calculation method2.2 Density functional theory2.3 Molecular dynamics simulation2.4 Overview of Machine LearningReference Chapter 3: Design and modification of cathode materials3.1 Research on cathode materials3.2 Types of common cathode materials3.3 Preparation and properties of high voltage ternary cathode materials3.4 The development prospect of cathode materialsReference Chapter 4: Application and preparation of oxide-based solid electrolyte4.1 Development and challenges of oxide-based solid-state electrolyte4.2 Study on the grain boundary and interface of oxide-based solid electrolyte4.3 Research on LLTO in the field of sensors4.5 Study on oxide-based composite electrolyteReference Chapter 5: Research on the development of sulfide solid electrolyte5.1 Application of advanced sulfide solid electrolyte5.2 Theoretical Design of Novel sulfide solid Electrolytes5.3 Study on the interface between sulfide solid electrolyte and electrode5.4 Study on sulfide-based composite electrolyteReference Chapter 6: Research progress of anode materials in solid-state lithium batteries6.1 Research on anode materials6.2 Classification and application of common anode materials6.3 Dendrite growth mechanism 6.4 Structural regulation of lithium metal anodesReference Chapter 7: Magnesium-ion batteries: Recent Progress and Challenge 7.1 Background and Introduction7.2 Research on cathode materials7.3 Research on anode materials7.4 Solid-state electrolyte7.5 Conclusion and OutlookReference Chapter 8: Advanced characterization and electrochemical measurement8.1 Characterization techniques in batteries8.3 Basic introduction of electrochemical test methods8.4 Other advanced analytical techniquesReference Chapter 9: Advanced assembly technology of full battery9.1 Preparation method of electrode materials9.2 Development of advanced assembly technology for solid-state batteries9.3 Summary and ProspectReference