Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/55427
Type: Artigo de periódico
Title: beta-Carotene encapsulation into single-walled carbon nanotubes: a theoretical study
Author: Moreira, E
Lemos, V
Galvao, DS
Azevedo, DL
Abstract: Recently, the encapsulation of -carotene molecules into carbon nanotubes has been achieved. In this work, we report molecular dynamics simulations and tight-binding density functional-based results for a theoretical study of the encapsulation processes. Our results show that the molecules undergo geometrical deformations when encapsulated with significant changes in their electronic structure. Based on these results, we propose a new interpretation to the changes associated with the -carotene absorption bands experimentally observed.
Country: Inglaterra
Editor: Taylor & Francis Ltd
Rights: fechado
Identifier DOI: 10.1080/08927022.2010.501519
Date Issue: 2010
Appears in Collections:Artigos e Materiais de Revistas Científicas - Unicamp

Files in This Item:
File Description SizeFormat 
WOS000284627900003.pdf240.2 kBAdobe PDFView/Open


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.