Reaction mechanism and kinetics for CO(2) reduction on nickel single atom catalysts from quantum mechanics

Experiments have shown that graphene-supported Ni-single atom catalysts (Ni-SACs) provide a promising strategy for the electrochemical reduction of CO(2) to CO, but the nature of the Ni sites (Ni-N(2)C(2), Ni-N(3)C(1), Ni-N(4)) in Ni-SACs has not been determined experimentally. Here, we apply the re...

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Detalles Bibliográficos
Autores principales: Hossain, Md Delowar, Huang, Yufeng, Yu, Ted H., Goddard III, William A., Luo, Zhengtang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7205999/
https://www.ncbi.nlm.nih.gov/pubmed/32382033
http://dx.doi.org/10.1038/s41467-020-16119-6

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