期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 15, 期 20, 页码 7555-7559出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3cp43952f
关键词
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资金
- Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP) [08/53576-9]
- Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq) [474871/2010-0]
- Programa Integrado de Apoio ao Ensino, Pesquisa e Extensao (PROINT) [128001208048]
- INCT in Bioanalytics (FAPESP) [08/57805-2]
- INCT in Bioanalytics (CNPq) [573672/2008-3]
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.
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