کنفرانس فیزیک ایران1390 , 2011-09-05

عنوان : ( Calculations of the electronic transport in thiol-linked junctions of n-acene molecules )

نویسندگان: راحله پیله ور شهری , ناصر شاه طهماسبی ,
فایل: Full Text

استناددهی: BibTeX | EndNote

چکیده

We investigate the transport properties of molecules belonging to the acenes series by using density functional theory combined with the non-equilibrium Green’s function approach to electronic transport. We calculate transmission coefficient and IV curve for n-acene molecules ranging from benzene (n=1) to heptacene(n=7) for two different anchoring configurations. It is shown that the HOMO-LUMO gap is reduced when the molecule becomes longer. Our transport calculations show that the anchoring geometry of the molecule to the leads has an important effect on the conductance in a junction. The conductance in low bias decreases exponentially with length in trans configuration, whereas it oscillates irregularly with length in cis configuration

کلمات کلیدی

electronic
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@inproceedings{paperid:1023333,
author = {پیله ور شهری, راحله and شاه طهماسبی, ناصر},
title = {Calculations of the electronic transport in thiol-linked junctions of n-acene molecules},
booktitle = {کنفرانس فیزیک ایران1390},
year = {2011},
location = {ارومیه, ايران},
keywords = {electronic transport-molecule-polyacene},
}

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%0 Conference Proceedings
%T Calculations of the electronic transport in thiol-linked junctions of n-acene molecules
%A پیله ور شهری, راحله
%A شاه طهماسبی, ناصر
%J کنفرانس فیزیک ایران1390
%D 2011

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