Pochet, Pascal and Genovese, Luigi and Caliste, Damien and Rousseau, Ian and Goedecker, Stefan and Deutsch, Thierry. (2010) First-principles prediction of stable SiC cage structures and their synthesis pathways. Physical Review B, Vol. 82, H. 3 , 035431.
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Official URL: http://edoc.unibas.ch/dok/A5841303
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Abstract
In this paper we use density functional theory calculations to investigate the structure and the stability of different SiC cagelike clusters. In addition to the fullerene family and the mixed four and six membered ring family, we introduce a family based on reconstructed nanotube slices. We propose an alternative synthesis pathway starting from SiC nanotubes.
| Faculties and Departments: | 05 Faculty of Science > Departement Physik > Physik > Physik (Goedecker) |
|---|---|
| UniBasel Contributors: | Goedecker, Stefan |
| Item Type: | Article, refereed |
| Article Subtype: | Research Article |
| Publisher: | American Institute of Physics |
| ISSN: | 0163-1829 |
| Note: | Publication type according to Uni Basel Research Database: Journal article |
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| Identification Number: | |
| Last Modified: | 17 Apr 2020 03:10 |
| Deposited On: | 14 Sep 2012 06:47 |
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