Structure and properties of small aurocarbons: a selective study.

Abstract

Gold clusters are versatile catalysts, and adding nonmetal dopants can allow tuning of their electronic properties via both shape and composition alteration. In the present work, mixed clusters of carbon and gold atoms are studied in terms of structure, stability, and the correlation between the shape and electronic properties by using a density functional… (More)
DOI: 10.1021/jp4035858

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3 Figures and Tables