Comparative study of the electron conduction in azulene and naphthalene

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dc.creatorDutta, Sudipta
dc.creatorLakshmi, S.
dc.creatorPati, Swapan K.
dc.date2008-07-22
dc.date.accessioned2026-07-07T09:52:07Z
dc.date.available2026-07-07T09:52:07Z
dc.descriptionWe have studied the feasibility of electron conduction in azulene molecule and compared with that in its isomer naphthalene. We have used non-equilibrium Green's function formalism to measure the current in our systems as a response of the external electric field. Parallely we have performed the Gaussian calculations with electric field in the same bias window to observe the impact of external bias on the wave functions of the systems. We have found that, the conduction of azulene is higher than that of naphthalene inspite of its intrinsic donor-acceptor property, which leads a system to more insulating state. Due to stabilization through charge transfer the azulene system can be fabricated as a very effective molecular wire. Our calculations shows the possibility of huge device application of azulene in nano-scale instruments.
dc.description6 pages, 8 figures
dc.identifierhttps://arxiv.org/abs/0807.3510
dc.identifierhttp://arxiv.org/abs/0807.3510
dc.identifierBulletin of Material Science 31, 353 (2008)
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/165481
dc.subjectMaterials Science
dc.subjectMesoscale and Nanoscale Physics
dc.titleComparative study of the electron conduction in azulene and naphthalene
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