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Structural Evolution of Palladium Clusters Pd55––Pd147–: Transition to the Bulk
dataset
posted on 2019-12-12, 18:36 authored by Stephan Kohaut, Thomas Rapps, Karin Fink, Detlef SchoossWe present a study of the structural evolution of palladium
cluster anions in a size range from 55 to 147 atoms using a combination
of trapped ion electron diffraction and density functional theory
computations. We show that Pdn– clusters (n = 55, 65, 75, 85, 95, 105, and 147)
change from an icosahedral motif at Pd55– to the bulk fcc motif at Pd147–. This
size-dependent structure transition is probed experimentally at a
temperature of 95 K and characterized by a continuously increasing
fraction of fcc isomers over the considered size range showing a crossover
to the fcc motif at n ≈ 90.