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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

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