Theoretical Study of Oligophenyl-based Double Barrier Molecular Device

TL;DR

This paper investigates electron conduction in oligophenyl double barrier molecular devices, demonstrating that asymmetric electron transport resembling a diode can occur when different insulator groups are used, through analytical and numerical methods.

Contribution

It introduces a theoretical analysis showing how different insulator groups induce diode-like asymmetric electron transport in oligophenyl molecular devices.

Findings

Asymmetric electron transport occurs with different insulator groups.

Analytical and numerical methods confirm diode-like behavior.

External electric field influences electron conduction asymmetry.

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 "pi" conjugated system made up of three phenyl rings separated by insulator groups -CH_{2}-, -SiH_{2}-, -GeH_{2}- and -SnH_{2}-. 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.