First-principles quantum dynamical theory for the dissociative chemisorption of H(2)O on rigid Cu(111)

Despite significant progress made in the past decades, it remains extremely challenging to investigate the dissociative chemisorption dynamics of molecular species on surfaces at a full-dimensional quantum mechanical level, in particular for polyatomic-surface reactions. Here we report, to the best...

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Detalles Bibliográficos
Autores principales: Zhang, Zhaojun, Liu, Tianhui, Fu, Bina, Yang, Xueming, Zhang, Dong H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4906410/
https://www.ncbi.nlm.nih.gov/pubmed/27283908
http://dx.doi.org/10.1038/ncomms11953

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4906410/
https://www.ncbi.nlm.nih.gov/pubmed/27283908
http://dx.doi.org/10.1038/ncomms11953

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