Substrate effect on hydrogen adsorption on gold cluster

N. V. Dokhlikova; N. N. Kolchenko; M. V. Grishin; A. K. Gatin; B. R. Shub

doi:10.1134/S1995078016060070

Substrate effect on hydrogen adsorption on gold cluster

Authors: Dokhlikova N.V.¹, Kolchenko N.N.¹, Grishin M.V.¹, Gatin A.K.¹, Shub B.R.¹
Affiliations:
1. Semenov Institute of Chemical Physics
Issue: Vol 11, No 11-12 (2016)
Pages: 735-742
Section: Article
URL: https://journals.rcsi.science/2635-1676/article/view/219702
DOI: https://doi.org/10.1134/S1995078016060070
ID: 219702

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Abstract

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.