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Lowest Energy Structures of Gold Nanoclusters
Abstract
The lowest energy structures of ${\mathrm{Au}}_{n}$ ( $n\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}38,55,75$) nanoclusters are obtained by unconstrained dynamical and genetic-symbiotic optimization methods, using a Gupta $n$-body potential. A set of amorphous structures, nearly degenerate in energy, are found as the most stable configurations. Some crystalline or quasicrystalline isomers are also minima of the cluster potential energy surface with similar energy. First principles calculations using density functional theory confirm these results and give different electronic properties for the ordered and disordered gold cluster isomers.
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Cited by
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Ferrando, R., Jellinek, J., & Johnston, R. L. (2008) · Chemical Reviews · doi:10.1021/cr040090g · Cited by 3,690
Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects
Baletto, F., & Ferrando, R. (2005) · Reviews of Modern Physics · doi:10.1103/revmodphys.77.371 · Cited by 1,811
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Qiao, R., Yang, C., & Gao, M. (2009) · Journal of Materials Chemistry · doi:10.1039/b902394a · Cited by 685
Theoretical Studies of Plasmonics using Electronic Structure Methods
Morton, S. M., Silverstein, D. W., & Jensen, L. (2011) · Chemical Reviews · doi:10.1021/cr100265f · Cited by 474
Metadata
- Authors
- Garzón, I. L., Michaelian, K., Beltrán, M. R., Posada-Amarillas, A., Ordejón, P., Artacho, E., Sánchez-Portal, D., & Soler, J. M.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1998-08-24
- Volume
- 81
- Issue
- 8
- Pages
- 1600-1603
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2073839928
- Cited by
- 375
- References
- 0
- FWCI
- 9.69
- Type
- journal article
- Language
- en
- Open access
- closed
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- Garzón, I. L., Michaelian, K., Beltrán, M. R., Posada-Amarillas, A., Ordejón, P., Artacho, E., Sánchez-Portal, D., & Soler, J. M. (1998). Lowest Energy Structures of Gold Nanoclusters. Physical Review Letters. https://doi.org/10.1103/physrevlett.81.1600
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