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VOLUME 79, NUMBER 10 P H Y S I C A L R E V I E W L E T T E R S 8 SEPTEMBER 1997
Structural Evolution of Smaller Gold Nanocrystals: The Truncated Decahedral Motif
Charles L. Cleveland,1 Uzi Landman,1 Thomas G. Schaaff,2 Marat N. Shafigullin,2
Peter W. Stephens,3,4 and Robert L. Whetten1,2
1School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332
2School of Chemistry, Georgia Institute of Technology, Atlanta, Georgia 30332
3Department of Physics, State University of New York, Stony Brook, New York 11794
4National Synchrotron Light Source, Brookhaven National Laboratory, Upton, New York 11973
(Received 4 April 1997)
Atomistic modeling of energetics and structures, coupled with x-ray powder diffraction analyses of
size-separated passivated gold nanocrystals in the 1–2 nm size range, shows preferential formation of a
stable sequence of three cluster sizes, all with a truncated-decahedral motif. [S0031-9007(97)03951-3]
PACS numbers: 61.46.+w, 36.40.Mr
It is commonly expected, and often observed, that the rions. In conjunction with the limited systematic experi-
structures (and properties) of finite-size materials aggre- mental information in the 1–2 nm size range, theoretical
gates (clusters) differ from those of the bulk. However, de- investigations have variously predicted differing crystallo-
termination of specific cluster structures, identification of graphic [8], noncrystallographic [9], amorphous [10], and
structural motifs, and elucidation of size-evolutionary pat- melted or quasimel
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