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Structural transitions from pyramidal to fused planar to tubular to core/shell compact in gold clusters: Au-n(-) (n=21-25)

Bulusu, Satya and Li, Xi and Wang, Lai-Sheng and Zeng, Xiao Cheng (2007) Structural transitions from pyramidal to fused planar to tubular to core/shell compact in gold clusters: Au-n(-) (n=21-25). JOURNAL OF PHYSICAL CHEMISTRY C, 111 (11). pp. 4190-4198.

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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp068897v

Abstract

We report a joint theoretical and experimental study of low-lying structures and structural transitions of gold cluster anions Au-n(-) in the size range of n = 21-25. Well-resolved photoelectron spectra are used to compare with density functional theory calculations and to identify the low-lying structures of the gold cluster anions. Due to the high stability of the tetrahedral Au-20, the pyramid-based structures are found to be competitive for n = 21-23. In addition to the pyramid-based structures, global-minimum searches also reveal two other generic structural types of low-lying clusters in the size range of n = 21-24, namely, the fused-planar and the hollow-tubular structures. At n = 24, the pyramid-based structures are no longer competitive and the hollow-tubular structures dominate the low-lying population. At n = 25, a structural transition from hollow-tubular to core/shell compact structure is observed.

Item Type:Article
Subjects:Physical Science > Nanophysics
Material Science > Nanostructured materials
ID Code:2798
Deposited By:Farnush Anwar
Deposited On:13 Jan 2009 16:55
Last Modified:13 Jan 2009 16:55

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