Substrate effect on hydrogen adsorption on gold cluster
- Авторы: Dokhlikova N.V.1, Kolchenko N.N.1, Grishin M.V.1, Gatin A.K.1, Shub B.R.1
-
Учреждения:
- Semenov Institute of Chemical Physics
- Выпуск: Том 11, № 11-12 (2016)
- Страницы: 735-742
- Раздел: Article
- URL: https://journals.rcsi.science/2635-1676/article/view/219702
- DOI: https://doi.org/10.1134/S1995078016060070
- ID: 219702
Цитировать
Аннотация
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.
Об авторах
N. Dokhlikova
Semenov Institute of Chemical Physics
Автор, ответственный за переписку.
Email: ezhikk@inbox.ru
Россия, Moscow, 119991
N. Kolchenko
Semenov Institute of Chemical Physics
Email: ezhikk@inbox.ru
Россия, Moscow, 119991
M. Grishin
Semenov Institute of Chemical Physics
Email: ezhikk@inbox.ru
Россия, Moscow, 119991
A. Gatin
Semenov Institute of Chemical Physics
Email: ezhikk@inbox.ru
Россия, Moscow, 119991
B. Shub
Semenov Institute of Chemical Physics
Email: ezhikk@inbox.ru
Россия, Moscow, 119991
Дополнительные файлы
