Please use this identifier to cite or link to this item: https://doi.org/10.1166/jnn.2007.649
Title: Looking beyond carbon nanotubes: Polypeptide nanotubes as alternatives?
Authors: Praveena, G.
Kolandaivel, P.
Santhanamoorthi, N.
Renugopalakrishnan, V.
Ramakrishna, S. 
Keywords: Band gap
Cyclic peptides
DFT
Nanostructures
Quantum chemical study
Self-assembly
Issue Date: Jul-2007
Source: Praveena, G., Kolandaivel, P., Santhanamoorthi, N., Renugopalakrishnan, V., Ramakrishna, S. (2007-07). Looking beyond carbon nanotubes: Polypeptide nanotubes as alternatives?. Journal of Nanoscience and Nanotechnology 7 (7) : 2253-2259. ScholarBank@NUS Repository. https://doi.org/10.1166/jnn.2007.649
Abstract: Since the discovery of CNT by lijima, Nature 354, 56 (1991). CNT's have surged to the forefront as a versatile nanostructured material in nanoelectronic applications. Polypeptides nanotubular structures with tunable properties offer a challenging alternative to CNT. Earlier experimental studies on L-Alanyl-L-Valine (AV) and L-Valyl-L-Alanine (VA) have demonstrated their potential as novel porous materials, which form channel-like structure (Soldatov et al., Angew. Chem. Int. Ed. 43, 6308 (2004)). In the study reported here, DFT calculations on two closely related cyclic dipeptides cyclo[Lalanyl-L-valine]3 and cyclo[L-valyl-L-alanine] 3 and on their linear correlates, [L-alanyl-L-valine] 3 and [L-valyl-L-alanine] 3 have been performed. This paper presents the general structural and electronic properties of cyclic and linear correlates of the nanotubular oligomeric dipeptides constructs, AV, and VA. We have compared the energy gaps of these cyclic rings and their linear correlates with that of other nanotubular constructs. The calculated HOMO-LUMO gap of these isolated ring structures is significantly larger than CNT's. Further research is required to reduce the band gaps to be comparable to CNT's and other inorganic tubular structures. Polypeptide design promises to be a major tool in engineering desirable band gap for the creation of novel nanostructured polypeptide nanotubes. Copyright © 2007 American Scientific Publishers All rights reserved.
Source Title: Journal of Nanoscience and Nanotechnology
URI: http://scholarbank.nus.edu.sg/handle/10635/85363
ISSN: 15334880
DOI: 10.1166/jnn.2007.649
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