https://repositorio.ufba.br/handle/ri/16394
Tipo: | Artigo de Periódico |
Título: | Formation and properties of selenium double-helices inside double-wall carbon nanotubes: experiment and theory |
Título(s) alternativo(s): | ACS Nano |
Autor(es): | Fujimori, Toshihiko Santos, Renato Batista dos Hayashi, Takuya Endo, Morinobu Kaneko, Katsumi Tománek, David |
Autor(es): | 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. |
Palavras-chave: | Selenium Double-wall carbon nanotube Double-helix Ab initio density functional calculation Density of states |
Tipo de Acesso: | Acesso Aberto |
URI: | http://repositorio.ufba.br/ri/handle/ri/16394 |
Data do documento: | 2013 |
Aparece nas coleções: | Artigo Publicado em Periódico (FIS) |
Arquivo | Descrição | Tamanho | Formato | |
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10.1021-nn4019703.pdf | 998,95 kB | Adobe PDF | Visualizar/Abrir |
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