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Title: Atomic-scale observation of dynamical fluctuation and three-dimensional structure of gold clusters

Unravelling three-dimensional structures and dynamical fluctuation of metal nanoclusters is critical to understanding reaction process and the origin of catalytic activity in many heterogeneous catalytic systems. We obtain three-dimensional structures of ultra-small Au clusters by combining aberration-corrected scanning transmission electron microscopy, density functional theory calculations, and imaging simulations. The configurations of unique Au clusters are revealed at the atomic scale and the corresponding electronic states are given. The sequential observations reveal a transition of ultra-small Au clusters with about 25 atoms from a near-square to an elongated structure. We also find a transition from two dimensions to three dimensions for the Au clusters. The obtained three-dimensional geometry and associated electronic states help to clarify atomistic mechanism of shape- and number-dependent catalytic activities of Au clusters.
Authors:
 [1] ;  [2] ;  [3] ; ; ;  [4] ;  [5] ;  [6] ;  [1]
  1. Engineering Research Center for Nanophotonics and Advanced Instrument, Ministry of Education, Department of Physics, East China Normal University, North Zhongshan Road 3663, Shanghai 200062 (China)
  2. (Japan)
  3. School of Manufacturing Science and Engineering, Sichuan University, Chengdu 610064 (China)
  4. Advanced Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)
  5. School of Materials Science and Engineering, University of Shanghai for Science and Technology, Shanghai 200093 (China)
  6. Institute of Engineering Innovation, The University of Tokyo, 2-11-16, Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan)
Publication Date:
OSTI Identifier:
22413184
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 8; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ATOMIC CLUSTERS; COMPUTERIZED SIMULATION; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; FLUCTUATIONS; GOLD; NANOSTRUCTURES; SCANNING ELECTRON MICROSCOPY; THREE-DIMENSIONAL CALCULATIONS; THREE-DIMENSIONAL LATTICES; TRANSMISSION ELECTRON MICROSCOPY