Substrate effect on hydrogen adsorption on gold cluster
- Autores: Dokhlikova N.V.1, Kolchenko N.N.1, Grishin M.V.1, Gatin A.K.1, Shub B.R.1
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Afiliações:
- Semenov Institute of Chemical Physics
- Edição: Volume 11, Nº 11-12 (2016)
- Páginas: 735-742
- Seção: Article
- URL: https://journals.rcsi.science/2635-1676/article/view/219702
- DOI: https://doi.org/10.1134/S1995078016060070
- ID: 219702
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Resumo
The changes in atomic and electronic structure of the Au13 gold cluster caused by the interaction with C54 graphene nanoflake have been studied using computer simulation in the electron density functional approximation. The mechanism of cluster charge effect on the energy of atomic hydrogen adsorption is determined.
Sobre autores
N. Dokhlikova
Semenov Institute of Chemical Physics
Autor responsável pela correspondência
Email: ezhikk@inbox.ru
Rússia, Moscow, 119991
N. Kolchenko
Semenov Institute of Chemical Physics
Email: ezhikk@inbox.ru
Rússia, Moscow, 119991
M. Grishin
Semenov Institute of Chemical Physics
Email: ezhikk@inbox.ru
Rússia, Moscow, 119991
A. Gatin
Semenov Institute of Chemical Physics
Email: ezhikk@inbox.ru
Rússia, Moscow, 119991
B. Shub
Semenov Institute of Chemical Physics
Email: ezhikk@inbox.ru
Rússia, Moscow, 119991
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