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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Bibliografiska uppgifter
I publikationen:ACS Omega
Huvudupphovsmän: Takagi, Nozomi, Ishimura, Kazuya, Miura, Hiroki, Shishido, Tetsuya, Fukuda, Ryoichi, Ehara, Masahiro, Sakaki, Shigeyoshi
Materialtyp: Artigo
Språk:Inglês
Publicerad: American Chemical Society 2019
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC6648525/
https://ncbi.nlm.nih.gov/pubmed/31459495
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b02890
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