4.6 Article

Structural Evolution of Medium-Sized Gold Clusters. Aun- (n=36, 37, 38): Appearance of Bulk-Like Face Centered Cubic Fragment

Journal

JOURNAL OF PHYSICAL CHEMISTRY C
Volume 118, Issue 13, Pages 6887-6892

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/jp500582t

Keywords

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Funding

  1. National Science Foundation [CHE-1049717]
  2. ARL [W911NF1020099]
  3. Nebraska Research Initiative
  4. U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]

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We report a joint experimental and theoretical study of the structural evolution of medium-sized gold clusters. We find that the most stable structures of Au-36(-) to Au-38(-) exhibit core-shell type structures all with a highly robust tetrahedral four-atom core. All three clusters are observed to possess two coexisting isomers in the cluster beam. The appearance of a fragment of the face centered cubic (FCC) bulk gold, that is, the pyramidal Au-20(-), at the size of Au-38(-) implies that the cluster-to-bulk transformation starts to emerge at the medium size range. It is expected that larger pyramidal-like intermediates may emerge in later medium- to large-sized Au clusters beyond Au-38(-.)

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