Theoretical Study of NO Dissociative Adsorption onto 3d Metal Particles M(55) (M = Fe, Co, Ni, and Cu): Relation between the Reactivity and Position of the Metal Element in the Periodic Table

[Image: see text] NO dissociative adsorption onto 3d metal particles M(55) (M = Fe, Co, Ni, and Cu) was investigated theoretically using density functional theory computations. A transition state exists at higher energy in the Cu case but at lower energy in the Fe, Co, and Ni cases than the reactant...

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Detalles Bibliográficos
Autores principales: Takagi, Nozomi, Ehara, Masahiro, Sakaki, Shigeyoshi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7905950/
https://www.ncbi.nlm.nih.gov/pubmed/33644596
http://dx.doi.org/10.1021/acsomega.0c05838

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7905950/
https://www.ncbi.nlm.nih.gov/pubmed/33644596
http://dx.doi.org/10.1021/acsomega.0c05838

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