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N-Doped CrS(2) Monolayer as a Highly-Efficient Catalyst for Oxygen Reduction Reaction: A Computational Study

Searching for low-cost and highly-efficient oxygen reduction reaction (ORR) catalysts is crucial to the large-scale application of fuel cells. Herein, by means of density functional theory (DFT) computations, we proposed a new class of ORR catalysts by doping the CrS(2) monolayer with non-metal atom...

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Detalles Bibliográficos
Autores principales: Qin, Zengming, Wang, Zhongxu, Li, Xiaofeng, Cai, Qinghai, Li, Fengyu, Zhao, Jingxiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9458212/
https://www.ncbi.nlm.nih.gov/pubmed/36080047
http://dx.doi.org/10.3390/nano12173012