Ab initio determination of a simultaneous dual-ion charging mechanism for Ni0.25Mn0.75O2 through redox reactions of Ni2+/Ni4+ and O2−/O−-Reference-Cited by-同舟云学术

Ab initio determination of a simultaneous dual-ion charging mechanism for Ni_0.25Mn_0.75O₂ through redox reactions of Ni²⁺/Ni⁴⁺ and O²⁻/O⁻

Published:2022 Issue:36 Volume:10 Page:18916-18927
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Shepard Robert¹²^ORCID,Brennan Scott¹,Juran Taylor R¹,Young Joshua¹³,Smeu Manuel¹^ORCID

Affiliation:

1. Department of Physics, Binghamton University - SUNY, 4400 Vestal Parkway East, Binghamton, NY 13902, USA

2. Department of Mathematics and Technology, Alvernia University, 400 Saint Bernardine Street, Reading, PA 19607, USA

3. Department of Chemical and Materials Engineering, New Jersey Institute of Technology, 323 Dr Martin Luther King Jr. Boulevard, Newark, NJ 07102, USA

Abstract

A novel method for computationally determining anion voltage is proposed in which one must consider full electrolyte interactions. This work reveals a simultaneous dual-ion (Na and ClO4) charging mechanism for Ni0.25Mn0.75O2.

Funder

National Science Foundation

Binghamton University

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/2022/TA/D2TA03938A

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