vbid/1730750346856

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

Typham this is the title: First-Principles Calculations for Cathode, Electrolyte and Anode Battery Materials 1st Edition