عنوان : ( Study of the electronic structure Dِi-thiol benzene coupled to M(M= Au,P and Hg) via thiolate bonds )
نویسندگان: اعظم پردل , ناصر شاه طهماسبی , محمد رضا بنام , طیبه شیرزاد ,
Full Textچکیده
One of the most important problems in molecular electronics is to understand the contact resistance of the molecular coupling to the electrodes.One of the most common methods to attach molecules to external electrodes is to use thiolate bonds The method is based on density functional theory (DFT). we use the siesta program package .we calculate energy gap in deferent cases,.decrease the gap energy show condantance increas
کلمات کلیدی
, electronic properties, Di, thiol benzen, bonds, Au, Hg, P
@inproceedings{paperid:1023338,
author = {اعظم پردل and شاه طهماسبی, ناصر and محمد رضا بنام and طیبه شیرزاد},
title = {Study of the electronic structure Dِi-thiol benzene coupled to M(M= Au,P and Hg) via thiolate bonds},
booktitle = {کنفرانس فیزیک ایران1390},
year = {2011},
location = {ارومیه, ايران},
keywords = {electronic properties-Di-thiol benzen-bonds-Au-Hg-P},
}
%0 Conference Proceedings
%T Study of the electronic structure Dِi-thiol benzene coupled to M(M= Au,P and Hg) via thiolate bonds
%A اعظم پردل
%A شاه طهماسبی, ناصر
%A محمد رضا بنام
%A طیبه شیرزاد
%J کنفرانس فیزیک ایران1390
%D 2011
