شماره ركورد كنفرانس :
5328
عنوان مقاله :
Computational study of external electric field effect on the electronic properties of a simple molecular wire
پديدآورندگان :
Safari Reza R.safari@qom.ac.ir Department of chemistry, Faculty of science, University of Qom, Qom, Iran , Hadi Hamidi hadi.ha@fs.lu.ac.ac.ir Department of chemistry, Faculty of science, University of Qom, Qom, Iran
كليدواژه :
.Molecular wire , Nanoelectronics , QTAIM theory , Landauer theory , Field , effect device , Cohesive energy
عنوان كنفرانس :
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
چكيده فارسي :
In this study, external electric field effect (EF) on some of the electronic properties (such as atomic charge/energies, current/voltage curve and molecular cohesive energy) of a simple organic field- effect molecular wire, are studied, using quantum theory of atoms-in- molecules (QTAIM) and Landauer theory (LT). Analysis of the results obtained in this study showed that these proposed field- effect .molecular wire has a suitable response to the applied external electric field (EF)
