Spin evolution and flip in the oxygen reduction reaction: a theoretical study of Cu(Ni)XP<sub>2</sub>S<sub>6</sub> (X = In, Bi and Cr)-Reference-Cited by-同舟云学术

Spin evolution and flip in the oxygen reduction reaction: a theoretical study of Cu(Ni)XP₂S₆ (X = In, Bi and Cr)

Published:2022 Issue:47 Volume:10 Page:25262-25271
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Bai Haoyun¹^ORCID,Liu Di¹,Zhou Pengfei¹,Feng Jinxian¹,Sui Xulei²,Lu Yunhao³,Liu Hongchao¹,Pan Hui¹⁴^ORCID

Affiliation:

1. Institute of Applied Physics and Materials Engineering, University of Macau, Macao SAR, 999078, P. R. China

2. Shenzhen Key Laboratory of Special Functional Materials, Shenzhen Engineering Laboratory for Advance Technology of Ceramics, Guangdong Research Center for Interfacial Engineering of Functional Materials, College of Materials Science and Engineering, Shenzhen University, Shenzhen, 518060, P. R. China

3. Department of Physics, Zhejiang University, Hangzhou, 310027, China

4. Department of Physics and Chemistry, Faculty of Science and Technology, University of Macau, Macao SAR, 999078, P. R. China

Abstract

We found that the excellent ORR performance of Ni doped CuXP2S6 (X = In, Bi and Cr) is related to spin selective charge transfer and spin flip, which are clearly observed and analyzed by first-principles calculation.

Funder

Fundo para o Desenvolvimento das Ciências e da Tecnologia

Universidade de Macau

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/D2TA07188F

Reference65 articles.

1. Recent advances on photocatalytic fuel cell for environmental applications—The marriage of photocatalysis and fuel cells

2. Microbial fuel cells—A preferred technology to prevail energy crisis