Oxygen activity and peroxide formation as charge compensation mechanisms in Li2MnO3-Reference-Cited by-同舟云学术

Oxygen activity and peroxide formation as charge compensation mechanisms in Li2MnO3

Published:2017 Issue:29 Volume:5 Page:15183-15190
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Marusczyk Anika¹²³⁴⁵,Albina Jan-Michael¹²³,Hammerschmidt Thomas¹²³,Drautz Ralf¹²³,Eckl Thomas⁴⁵³,Henkelman Graeme⁶⁷⁸⁹¹⁰^ORCID

Affiliation:

1. ICAMS

2. Ruhr Universität Bochum

3. Germany

4. Robert Bosch GmbH

5. Renningen

6. Department of Chemistry

7. The Institute for Computational Engineering and Sciences

8. The University of Texas at Austin

9. Austin

10. USA

Abstract

Over-lithiated transition metal oxides are currently the most promising high energy cathode materials. DFT calculations show that Li₂MnO₃ becomes increasingly unstable upon delithiation and experiences a driving force for either oxygen release from the surface or peroxide formation in the bulk. Both mechanisms are shown to be detrimental for the electrochemistry.

Funder

Welch Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/TA/C7TA04164K

Reference50 articles.

1. Review—Li-Rich Layered Oxide Cathodes for Next-Generation Li-Ion Batteries: Chances and Challenges

2. Electrochemical Activities in Li[sub 2]MnO[sub 3]

3. Review of the U.S. Department of Energy’s “Deep Dive” Effort to Understand Voltage Fade in Li- and Mn-Rich Cathodes