15 December 2015 Spatial and electron structure of substituted gold clusters
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Proceedings Volume 9810, International Conference on Atomic and Molecular Pulsed Lasers XII; 981007 (2015) https://doi.org/10.1117/12.2225237
Event: XII International Conference on Atomic and Molecular Pulsed Lasers, 2015, Tomsk, Russian Federation
Abstract
The structure of intermetallic clusters Au12M (M=Hf, Ta, W, Re, Os) and features of their interaction with electron donors and acceptor atoms, i.e. H and F, were investigated making use computer calculation based of density functional theory. In was found that metal clusters with effective electron number equal to 18 have more symmetrical shape then that with a number of electrons differing from 18. The interaction of gold nanoparticles with silica was modeled by attachment of SiO4H groups and the connection of the electronic structure with electronic transitions in spaser is discussed.
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V. G. Yarzhemsky, V. G. Yarzhemsky, M. A. Kazaryan, M. A. Kazaryan, N. A. Bulychev, N. A. Bulychev, Y. A. Dyakov, Y. A. Dyakov, O. K. Kosheleva, O. K. Kosheleva, C. H. Chen, C. H. Chen, "Spatial and electron structure of substituted gold clusters", Proc. SPIE 9810, International Conference on Atomic and Molecular Pulsed Lasers XII, 981007 (15 December 2015); doi: 10.1117/12.2225237; https://doi.org/10.1117/12.2225237
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