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Article:Orbital Structure Analysis in Molecular Electronics
by
E.G.Rajan,
Manas Ranjan Pradhan
| International Journal of Computer Applications |
| Foundation of Computer Science (FCS), NY, USA |
| Volume 4 - Number 8 |
| Year of Publication: 2010 |
| Authors: E.G.Rajan, Manas Ranjan Pradhan |
10.5120/846-1181
|
E.G.Rajan, Manas Ranjan Pradhan . Article:Orbital Structure Analysis in Molecular Electronics. International Journal of Computer Applications. 4, 8 ( August 2010), 35-43. DOI=10.5120/846-1181
@article{
10.5120/846-1181,
author = {
E.G.Rajan,
Manas Ranjan Pradhan
},
title = { Article:Orbital Structure Analysis in Molecular Electronics },
journal = {
International Journal of Computer Applications
},
issue_date = { August 2010 },
volume = { 4 },
number = { 8 },
month = { August },
year = { 2010 },
issn = { 0975-8887 },
pages = {
35-43
},
numpages = {9},
url = {
https://ijcaonline.org/archives/volume4/number8/846-1181/
},
doi = { 10.5120/846-1181 },
publisher = {Foundation of Computer Science (FCS), NY, USA},
address = {New York, USA}
}
%0 Journal Article
%1 2024-02-06T19:52:33.544921+05:30
%A E.G.Rajan
%A Manas Ranjan Pradhan
%T Article:Orbital Structure Analysis in Molecular Electronics
%J International Journal of Computer Applications
%@ 0975-8887
%V 4
%N 8
%P 35-43
%D 2010
%I Foundation of Computer Science (FCS), NY, USA
Abstract
The objective of this research work is to find out the orbital structure effect of the molecules used in a molecular wire of polyphenylene chain which can facilitates the electron flow in a molecular surface and in turn gives electronic properties. Taking molecular rectifier diode as the part of study, we have analyzed how the hybridization property maintained among molecules where electrons get flowed from donor part to acceptor part with insulator as intermediate. The whole of the study takes place as donor part molecular orbital, acceptor part molecular orbital and the insulator part molecular orbital and how it is affecting to the whole single molecule as Donor-Insulator-Acceptor. The use of Density function theory and Non equilibrium green’s function have just mentioned to study the voltage~ current characteristics and detailed quantitative model will be put in our next research work.
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Computer Science
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