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Fe@χ(3)-borophene as a promising catalyst for CO oxidation reaction: A first-principles study

A novel single-atom catalyst of Fe adsorbed on χ(3)-borophene has been proposed as a potential catalyst for CO oxidation reaction (COOR). Quantitative pictures have been provided of both the stability of Fe@χ(3)-borophene and various kinetic reaction pathways using first-principles calculations. Str...

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Detalles Bibliográficos
Autores principales:	Han, Jian-Wei, Bian, Wei-Yue, Zhang, Yue-Yu, Zhang, Meng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9513182/ https://www.ncbi.nlm.nih.gov/pubmed/36176892 http://dx.doi.org/10.3389/fchem.2022.1008332

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