Catalytic Role of Gold Nanoparticle in GaAs Nanowire Growth: A Density Functional Theory Study

[摘要]：The energetics of Ga, As, and GaAs species on the Au(111) surface (employed as a model for Au nanoparticles) is investigated by means of density functional calculations. Apart from formation of the compound Au7Ga2, Ga is found to form a surface alloy with

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