| Texto completo | |
| Autor(es): |
Andrade-Filho, T.
[1]
;
Ferreira, Fabio Furlan
[1]
;
Alves, Wendel Andrade
[1]
;
Rocha, Alexandre Reily
[2]
Número total de Autores: 4
|
| Afiliação do(s) autor(es): | [1] Univ Fed ABC, Ctr Ciencias Nat & Humanas, Sao Paulo - Brazil
[2] Univ Estadual Paulista UNESP, Inst Fis Teor, Sao Paulo - Brazil
Número total de Afiliações: 2
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Physical Chemistry Chemical Physics; v. 15, n. 20, p. 7555-7559, 2013. |
| Citações Web of Science: | 19 |
| Resumo | |
The self-assembly of short amino acid chains appears to be one of the most promising strategies for the fabrication of nanostructures. Their solubility in water and the possibility of chemical modification by targeting the amino or carboxyl terminus give peptide-based nanostructures several advantages over carbon nanotube nanostructures. However, because these systems are synthesized in aqueous solution, a deeper understanding is needed on the effects of water especially with respect to the electronic, structural and transport properties. In this work, the electronic properties of L-diphenylalanine nanotubes (FF-NTs) have been studied using the Self-Consistent Charge Density-Functional-based Tight-Binding method augmented with dispersion interaction. The presence of water molecules in the central hydrophilic channel and their interaction with the nanostructures are addressed. We demonstrate that the presence of water leads to significant changes in the electronic properties of these systems decreasing the band gap which can lead to an increase in the hopping probability and the conductivity. (AU) | |
| Processo FAPESP: | 08/53576-9 - Síntese, caracterização e estudo das propriedades eletrônicas dos nanotubos de peptídeos e óxido de titânio |
| Beneficiário: | Wendel Andrade Alves |
| Modalidade de apoio: | Auxílio à Pesquisa - Jovens Pesquisadores |
| Processo FAPESP: | 08/57805-2 - Instituto de Bioanalítica |
| Beneficiário: | Lauro Tatsuo Kubota |
| Modalidade de apoio: | Auxílio à Pesquisa - Temático |