Computational screening for high-activity MoS2 monolayer-based catalysts for the oxygen reduction reaction via substitutional doping with transition metal-Reference-Cited by-同舟云学术

Computational screening for high-activity MoS2 monolayer-based catalysts for the oxygen reduction reaction via substitutional doping with transition metal

Published:2017 Issue:20 Volume:5 Page:9842-9851
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Wang Zhongxu¹²³⁴⁵,Zhao Jingxiang¹²³⁴⁵^ORCID,Cai Qinghai¹²³⁴⁵,Li Fengyu⁶⁷⁸⁹

Affiliation:

1. Key Laboratory of Photonic and Electronic Bandgap Materials

2. Ministry of Education

3. College of Chemistry and Chemical Engineering

4. Harbin Normal University

5. Harbin

6. School of Physical Science and Technology

7. Inner Mongolia University

8. Hohhot

9. China

Abstract

By means of DFT computations we have proposed that Cu-doped MoS₂ monolayer is a promising single-atom-catalyst with high efficiency for the ORR.

Funder

National Natural Science Foundation of China

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/C7TA00577F

Reference84 articles.

1. Building better batteries

2. Oxygen Electrochemistry as a Cornerstone for Sustainable Energy Conversion

3. Metal–air batteries: from oxygen reduction electrochemistry to cathode catalysts

4. Materials for fuel-cell technologies

5. Electrocatalyst approaches and challenges for automotive fuel cells

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