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Role of Peripheral Coordination Boron in Electrocatalytic Nitrogen Reduction over N-Doped Graphene-Supported Single-Atom Catalysts

In this work, we investigate the effect of peripheral B doping on the electrocatalytic nitrogen reduction reaction (NRR) performance of N-doped graphene-supported single-metal atoms using density functional theory (DFT) calculations. Our results showed that the peripheral coordination of B atoms cou...

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Detalles Bibliográficos
Autores principales: Ma, Ruijie, Weng, Xintong, Lin, Linghui, Zhao, Jia, Wei, Fenfei, Lin, Sen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10304113/
https://www.ncbi.nlm.nih.gov/pubmed/37375152
http://dx.doi.org/10.3390/molecules28124597