Catalysis of Cu Cluster for NO Reduction by CO: Theoretical Insight into the Reaction Mechanism

[Image: see text] Density functional theory calculations here elucidated that Cu(38)-catalyzed NO reduction by CO occurred not through NO dissociative adsorption but through NO dimerization. NO is adsorbed to two Cu atoms in a bridging manner. NO adsorption energy is much larger than that of CO. N–O...

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Detalles Bibliográficos
Autores principales: Takagi, Nozomi, Ishimura, Kazuya, Miura, Hiroki, Shishido, Tetsuya, Fukuda, Ryoichi, Ehara, Masahiro, Sakaki, Shigeyoshi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648525/
https://www.ncbi.nlm.nih.gov/pubmed/31459495
http://dx.doi.org/10.1021/acsomega.8b02890

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648525/
https://www.ncbi.nlm.nih.gov/pubmed/31459495
http://dx.doi.org/10.1021/acsomega.8b02890

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