In: Journal of Molecular Structure: THEOCHEM, 2009, vol. 911, no. 1-3, p. 65-69
The geometries, electronic, and magnetic properties of the Au₇Hn (n = 1–10) clusters have been systematically investigated by using relativistic all-electron density functional theory with generalized gradient approximation. It is found that the Au₇ on the whole retains its triangle structure after hydrogen atoms adsorption and adsorbing hydrogen atoms can...
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