Functional Group Effect for Modelling Transport Through Tour Wire Nanostructure
C. Preferencial Kala1
1Department of Physics and Nano Technology, Center for Materials Science and Nanodevices, SRM University, Kattankulathur, Chennai-603 203, India
2Department of Electronics and Communication Engineering, Center for Materials Science and Nanodevices, SRM University, Kattankulathur, Chennai-603 203, India
*Corresponding authors: Fax: +98 21 22222512; Tel: +98 21 22262561; E-mail: preferencialkala.c@ktr.srmuniv.ac.in, john.d@ktr.srmuniv.ac.in
P. Aruna Priya3
1Department of Physics and Nano Technology, Center for Materials Science and Nanodevices, SRM University, Kattankulathur, Chennai-603 203, India
2Department of Electronics and Communication Engineering, Center for Materials Science and Nanodevices, SRM University, Kattankulathur, Chennai-603 203, India
*Corresponding authors: Fax: +98 21 22222512; Tel: +98 21 22262561; E-mail: preferencialkala.c@ktr.srmuniv.ac.in, john.d@ktr.srmuniv.ac.in
D. John Thiruvadigal1
1Department of Physics and Nano Technology, Center for Materials Science and Nanodevices, SRM University, Kattankulathur, Chennai-603 203, India
2Department of Electronics and Communication Engineering, Center for Materials Science and Nanodevices, SRM University, Kattankulathur, Chennai-603 203, India
*Corresponding authors: Fax: +98 21 22222512; Tel: +98 21 22262561; E-mail: preferencialkala.c@ktr.srmuniv.ac.in, john.d@ktr.srmuniv.ac.in
Corresponding Author(s) : C. Preferencial Kala1
Asian Journal of Chemistry,
Vol 25 No Supplementary Issue
The quantum transport through tour wires functionalized with different side groups was studied using non-equilibrium Green’s function formalism combined with extended Huckel theory. Au-tour wire-Au junctions were constructed with functional groups NO2 and NH2. The transmission spectrum analysis show that the resonant transmission peaks are related to the delocalized nature of the p-orbitals of the tour wires that was not much affected by the functionalization at room temperature. However, functionalization has a significant effect on the transport behaviour of the molecular system. Furthermore, the influence of low temperature effect on the transport characteristics has been emphasized. The result shows that, negative differential resistance nature was observed for tour wire-NO2 at the temperature of 100 K in the positive and the negative bias region.
Preferencial Kala1, C., Aruna Priya3, P., & John Thiruvadigal1, D. (2013). Functional Group Effect for Modelling Transport Through Tour Wire Nanostructure. Asian Journal of Chemistry, 25(20), 427–429. Retrieved from https://asianpubs.org/index.php/ajchem/article/view/25_Supplementary%20Issue_119
