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metadata.dc.type: | Artigo de Periódico |
Title: | Formation and properties of selenium double-helices inside double-wall carbon nanotubes: experiment and theory |
Other Titles: | ACS Nano |
Authors: | Fujimori, Toshihiko Santos, Renato Batista dos Hayashi, Takuya Endo, Morinobu Kaneko, Katsumi Tománek, David |
metadata.dc.creator: | Fujimori, Toshihiko Santos, Renato Batista dos Hayashi, Takuya Endo, Morinobu Kaneko, Katsumi Tománek, David |
Abstract: | We report the production of covalently bonded selenium double-helices within the narrow cavity inside double-wall carbon nanotubes. The double-helix structure, characterized by high-resolution transmission electron microscopy and X-ray diffraction, is completely different from the bulk atomic arrangement and may be considered a new structural phase of Se. Supporting ab initio calculations indicate that the observed encapsulated Se double-helices are radially compressed and have formed from free Se atoms or short chains contained inside carbon nanotubes. The calculated electronic structure of Se double-helices is very different from the bulk system, indicating the possibility to develop a new branch of Se chemistry. |
Keywords: | Selenium Double-wall carbon nanotube Double-helix Ab initio density functional calculation Density of states |
metadata.dc.rights: | Acesso Aberto |
URI: | http://repositorio.ufba.br/ri/handle/ri/16394 |
Issue Date: | 2013 |
Appears in Collections: | Artigo Publicado em Periódico (FIS) |
Files in This Item:
File | Description | Size | Format | |
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10.1021-nn4019703.pdf | 998,95 kB | Adobe PDF | View/Open |
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