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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2016
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| Materias: | |
| 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 |