Theoretical study of oligophenyl-based double barrier molecular device

Article type: Research Article

Authors: Bhattacherjee, Aranya B.^{a; *} | Dudeja, Suman^b

Affiliations: [a] Department of Physics, ARSD College, University of Delhi (South Campus), New Delhi-110021, India | [b] Department of Chemistry, ARSD College, University of Delhi (South Campus), New Delhi-110021, India

Correspondence: [*] Corresponding author. E-mail: bhattach@arsd.du.ac.in.

Abstract: We report an investigation of electron conduction in oligophenyl based double barrier molecular device. We have carried out analytical calculations and numerical simulations on isolated molecules, consisting of aromatic π conjugated system made up of three phenyl rings separated by insulator groups -CH2-, -SiH2-, -GeH2- and -SnH2-. We show analytically as well as numerically that when the two insulator groups are different an asymmetric electron transport in the presence of external electric field is possible,thus resembling a diode which allows one way electron transport.

DOI: 10.3233/JCM-2011-0355

Journal: Journal of Computational Methods in Sciences and Engineering, vol. 11, no. 1-2, pp. 57-67, 2011