The modulation mechanism of geometric and electronic structures of bimetallic catalysts: Pd13−mAgm (m=0–13) clusters for acetylene semi-hydrogenation

The modulation mechanism of the second metal in bimetallic catalysts is examined by taking acetylene semi-hydrogenation over Pd 13− m Ag m clusters, in which a metastable Pd 6 Ag 7 structure exhibits excellent activity/selectivity to ethylene.