Determination of possible configurations for Li0.5CoO2 delithiated Li-ion battery cathodes via DFT calculations coupled with a multi-objective non-dominated sorting genetic algorithm (NSGA-III)-Reference-Cited by-同舟云学术

Determination of possible configurations for Li0.5CoO2 delithiated Li-ion battery cathodes via DFT calculations coupled with a multi-objective non-dominated sorting genetic algorithm (NSGA-III)

Published:2018 Issue:41 Volume:20 Page:26405-26413
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Han Woo Gyu¹²³,Park Woon Bae¹²³^ORCID,Singh Satendra Pal¹²³^ORCID,Pyo Myoungho⁴⁵³^ORCID,Sohn Kee-Sun¹²³^ORCID

Affiliation:

1. Faculty of Nanotechnology and Advanced Materials Engineering, Sejong University

2. Seoul 05006

3. Republic of Korea

4. Department of Printed Electronics Engineering, Sunchon National University

5. Suncheon 57922

Abstract

A plausible configuration for Li_0.5CoO₂ was pinpointed using NSGA-III-assisted DFT calculations involving redox potential, band gap energy and magnetic moment.

Funder

National Research Foundation of Korea

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP05284K

Reference85 articles.

1. Zur Elektronentheorie der Metalle. I

2. Special points for Brillouin-zone integrations

3. Thermal Properties of the Inhomogeneous Electron Gas