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Substrate effect on hydrogen adsorption on gold cluster

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.

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Correspondence to N. V. Dokhlikova.

Additional information

Original Russian Text © N.V. Dokhlikova, N.N. Kolchenko, M.V. Grishin, A.K. Gatin, B.R. Shub, 2016, published in Rossiiskie Nanotekhnologii, 2016, Vol. 11, Nos. 11–12.

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Dokhlikova, N.V., Kolchenko, N.N., Grishin, M.V. et al. Substrate effect on hydrogen adsorption on gold cluster. Nanotechnol Russia 11, 735–742 (2016). https://doi.org/10.1134/S1995078016060070

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