Enviar artigo por via de e-mail Theoretical study of the spatial structure and electronic and optical properties of carbon toroidal nanostructures
- Autores: Yurev M.Y.1, Mysovsky A.S.1,2
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Afiliações:
- Irkutsk National Research Technical University
- Vinogradov Institute of Geochemistry, Siberian Branch
- Edição: Volume 81, Nº 10 (2017)
- Páginas: 1263-1268
- Seção: Proceedings of the XV International Conference “Luminescence and Laser Physics” (LLP-2016)
- URL: https://journals.rcsi.science/1062-8738/article/view/185214
- DOI: https://doi.org/10.3103/S1062873817100276
- ID: 185214
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Resumo
A new way of modeling complex structures that is based on the use of structural patterns is proposed. Its applicability is demonstrated by the example of carbon nanotori. Their electronic structure and properties are studied using the B3LYP density functional. A correlation between the number of atoms and total energy is revealed and compared to that of fullerenes. A criterion for determining the stability of the resulting structures is also proposed.
Sobre autores
M. Yurev
Irkutsk National Research Technical University
Email: mysovsky@mail.com
Rússia, Irkutsk, 664074
A. Mysovsky
Irkutsk National Research Technical University; Vinogradov Institute of Geochemistry, Siberian Branch
Autor responsável pela correspondência
Email: mysovsky@mail.com
Rússia, Irkutsk, 664074; Irkutsk, 664003
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