Structural Evolution of Palladium Clusters Pd55--Pd147-: Transition to the Bulk.
J Phys Chem A
; 123(51): 10940-10946, 2019 Dec 26.
Article
em En
| MEDLINE
| ID: mdl-31769986
ABSTRACT
We 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.
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MEDLINE
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2019
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Article