Single-, double-, and triple-atom catalysts on graphene-like C 2 N enable electrocatalytic nitrogen reduction: insight from first principles
Journal Article
·
· Catalysis Science and Technology
- College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, 333 Longteng Road, Songjiang District, Shanghai 201620, China
The *NHxintermediates on Mn@C2N are highly stable forn= 3 and unstable forn= 1, rendering Mn@C2N as the optimal candidate for driving the eNRR owing to its moderate binding with NHx(x= 0, 1, 2, 3).
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- SC0012704
- OSTI ID:
- 1982199
- Journal Information:
- Catalysis Science and Technology, Vol. 12, Issue 8; ISSN 2044-4753
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
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