Abstract:The atomic‐scale analysis of hydrides within metal clusters remains challenging due to the difficulties in performing spatially resolved characterization experiments. One important issue is understanding how hydrogens bond to metal atoms and their positions. The classification of hydride as either a ligand or doped metal is a difficult problem due to its different impacts on electronic structures of coinage metal (Cu, Ag, and Au) clusters. Here, geometric characteristics, stability and electronic properties of… Show more
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