Theoretical investigation on hydrogenation of dinitrogen triggered by singly dispersed bimetallic sites-Reference-Cited by-同舟云学术

Theoretical investigation on hydrogenation of dinitrogen triggered by singly dispersed bimetallic sites

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

Author:

Ma Xue-Lu¹^ORCID,Yang Yue¹^ORCID,Xu Le-Min¹,Xiao Hai²^ORCID,Yao Wen-Zhi³,Li Jun²^ORCID

Affiliation:

1. School of Chemical & Environmental Engineering, China University of Mining & Technology, Beijing 100083, China

2. Department of Chemistry and Key Laboratory of Organic Optoelectronics & Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China

3. Department of Environmental and Municipal Engineering, North China University of Water Conservancy and Electric Power, Zhengzhou 450011, China

Abstract

By first-principles calculations, the singly dispersed bimetallic site, Pd1Co4/CoOx SCC, is proposed to exhibit superior charge buffer capacity towards thermal dinitrogen hydrogenation based on a superimposed evaluation strategy.

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

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/D1TA08350C

Reference47 articles.

1. Recent Advances and Challenges of Electrocatalytic N2 Reduction to Ammonia

2. A theoretical evaluation of possible transition metal electro-catalysts for N2reduction