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The effect of electric current on chemical bonding of hydrogen adsorption on an aluminum nanowire
Author(s) -
Senami Masato,
Matsunaga Shunji
Publication year - 2019
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.26004
Subject(s) - nanowire , aluminium , adsorption , hydrogen , materials science , non equilibrium thermodynamics , current (fluid) , work function , chemical bond , hydrogen bond , metal , work (physics) , voltage , chemical physics , electric current , nanotechnology , chemistry , layer (electronics) , thermodynamics , molecule , composite material , metallurgy , physics , organic chemistry , quantum mechanics
The effect of electric current on hydrogen adsorption on an aluminum nanowire surface is studied by using nonequilibrium Green's function method. We choose the models studied in the previous work of one of the authors as an aluminum nanowire model and a hydrogen‐adsorbed one. These nanowire models have conductive ability, because the aluminum part of these models is metallic. It is confirmed that electric current affects the strength of the adsorption of hydrogen atoms, and the change of the bonding of hydrogen to aluminum nanowire surface is larger for larger current. However, the change of the chemical bonding is negligibly small within the bias voltage ≤0.5 V.