Electron delocalization in heterogeneous AunHm systems
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We studied the size effects in homogeneous Aun nanoclusters (n = 11–21, 31–37) and a heterogeneous “planar” AunHm nanocluster (n = 13, 31, m = 1–12, 1–6) by computer simulation in the electron density functional approximation. The correlation between the features of size effects on the physicochemical properties of heterogeneous AunHm nanoclusters and a sequence of electronic magic numbers demonstrates a delocalized nature of occupied electronic states with near-Fermi energy.
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