Probing the structural, electronic, and adsorptive properties of AuO clusters.

Great progress has been made in O adsorption on gold clusters. However, systematic investigations of O adsorption on [Formula: see text] clusters have not been reported. Here, we present a systematic study of the structural, electronic, and adsorptive properties of [Formula: see text] clusters by density functional theory (DFT) calculations coupled with stochastic kicking method.