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Geometrical structures, relative stabilities and electronic properties of neutral, cationic and anionic pure gold Auλn+1and Ag-doped bimetallic AgAuλn(λ=0,±1;n=1−12) clusters have been systematically investigated by using density functional theory methodology. The optimized structures show that planar to three-dimensional structural transition occurs at n = 5 for cationic clusters. Due to strong relativistic...
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