A short perspective of modeling electrode materials in lithium-ion batteries by the ab initio atomistic thermodynamics approach - Research portal of Justus Liebig University Giessen:

Journal article

A short perspective of modeling electrode materials in lithium-ion batteries by the ab initio atomistic thermodynamics approach

Authors list: Exner, Kai S.

Publication year: 2018

Pages: 3111-3117

Journal: Journal of Solid State Electrochemistry

Volume number: 22

Issue number: 10

ISSN: 1432-8488

eISSN: 1433-0768

DOI Link: https://doi.org/10.1007/s10008-018-4017-9

Publisher: Springer

Abstract:
Atomic-scale insights into the performance of electrode materials in lithium-ion batteries require thermodynamic considerations as first step in order to determine potential surface structures that are relevant for subsequent kinetic studies. Within the last 20years, research in heterogeneous catalysis as well as in electrocatalysis has been spurred by the ab initio atomistic thermodynamics approach, whose application for electrode materials in lithium-ion batteries is eyed and discussed in this perspective article.

Citation Styles

Harvard Citation style: Exner, K. (2018) A short perspective of modeling electrode materials in lithium-ion batteries by the ab initio atomistic thermodynamics approach, Journal of Solid State Electrochemistry, 22(10), pp. 3111-3117. https://doi.org/10.1007/s10008-018-4017-9

APA Citation style: Exner, K. (2018). A short perspective of modeling electrode materials in lithium-ion batteries by the ab initio atomistic thermodynamics approach. Journal of Solid State Electrochemistry. 22(10), 3111-3117. https://doi.org/10.1007/s10008-018-4017-9

Keywords

Ab initio atomistic thermodynamics; ANIONIC REDOX; ELECTROCATALYTIC REACTION; FREE-ENERGY DIAGRAM; Lithium cobaltite (LCO); Lithium titanate (LTO); OXYGEN REDUCTION; RATE PERFORMANCE; Stability diagrams; SURFACE POURBAIX DIAGRAMS

SDG Areas

11 Sustainable cities and communities