Unraveling Catalytic Mechanisms for CO Oxidation on Boron-Doped Fullerene: A Computational Study

[Image: see text] By means of spin-polarized density functional theory (DFT) computations, we unravel the reaction mechanisms of catalytic CO oxidation on B-doped fullerene. It is shown that O(2) species favors to be chemically adsorbed via side-on configuration at the hex-C–B site with an adsorptio...

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Detalles Bibliográficos
Autores principales: Chen, Kai-Yang, Wu, Shiuan-Yau, Chen, Hsin-Tsung
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7659142/
https://www.ncbi.nlm.nih.gov/pubmed/33195940
http://dx.doi.org/10.1021/acsomega.0c04532

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7659142/
https://www.ncbi.nlm.nih.gov/pubmed/33195940
http://dx.doi.org/10.1021/acsomega.0c04532

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