First-Principles Calculations for Cathode, Electrolyte and Anode Battery Materials

Author: Ming-Fa Lin, Ms Thi Dieu Hien Nguyen, Dr Shih-Yang Lin, Dr Hsien-Ching Chung, Dr Ngoc Thanh Thuy Tran, Miss Thi Han Nguyen, Hsin-Yi Liu, Dr Hai Duong Pham, Miss Thi My Duyen Huynh and Mr Ming-Hsiu Tsai Series: IOP ebooks

This book presents the first-principles calculations that can be used to determine the essential chemical and physical characteristics of cathode, electrolyte and anode materials in ion-based batteries. It is ideal for researchers and senior graduate students working on the theory and fundamental science of battery materials.

Product Unavailable

PRODUCT INFORMATION

Summary

This book presents the first-principles calculations that can be used to determine the essential chemical and physical characteristics of cathode, electrolyte and anode materials in ion-based batteries. It is ideal for researchers and senior graduate students working on the theory and fundamental science of battery materials.

Description

This book presents the first-principles calculations that can be used to determine the essential chemical and physical characteristics of cathode, electrolyte and anode materials in ion-based batteries. Methods for evaluating and analysing the first-principles results are discussed in detail, and the theoretical framework is illustrated for each system. This text is ideal as a reference for researchers and senior graduate students working on the theory and fundamental science of battery materials. It will also be useful for materials scientists and condensed matter physicists studying diverse crucial material properties.

Key Features:

Explores first-principles calculations that can be used to determine the essential chemical and physical characteristics of cathode, electrolyte and anode materials in ion-based batteries

Focuses on simulations and provides a theoretical framework for 3D multi-component compounds

Covers the geometric, electronic, magnetic and optical properties of lithium, aluminium, iron, and part of sodium, potassium, magnesium-ion-based batteries

Discusses methods for evaluating and analyzing the first-principles results

Includes the engineering integrations, potential applications, and outlook of the Li-ion battery industry

About the Author

Ming-Fa Lin is a distinguished professor in the Department of Physics at National Cheng Kung University, Taiwan. He received his PhD in physics in 1993 from the National Tsing-Hua University, Taiwan. His main scientific interests focus on essential properties of carbon related materials and low-dimensional systems. He is a member of American Physical Society, American Chemical Society, and the Physical Society of Republic of China (Taiwan). He has authored or co-authored over 500 journal articles, books and book chapters.