Single-molecule resonant tunneling diode

Journal article (2015)

Authors

M.L. Perrin QN/van der Zant Lab - AS
E. Galán García ChemE/Opto-electronic Materials - AS
R. Eelkema ChemE/Advanced Soft Matter - AS
F.C. Grozema ChemE/Opto-electronic Materials - AS
J.M. Thijssen QN/Thijssen Group - AS
H.S.J. van der Zant QN/van der Zant Lab - AS
Research Group
QN/van der Zant Lab (AS) (TU Delft)
More Info
expand_more

Published Date

2015

Language

English

Reuse Rights

Other than for strictly personal use, it is not permitted to download, forward or distribute the text or part of it, without the consent of the author(s) and/or copyright holder(s), unless the work is under an open content license such as Creative Commons.

Faculty

Applied Sciences

Department

QN/Quantum Nanoscience

Research Group

QN/van der Zant Lab

Abstract

Rectification has been at the foundation of molecular electronics. Most single-molecule diodes realized experimentally so far are based on asymmetries in the coupling with the electrodes or using the donor-acceptor principle. In general, however, their rectification ratios are usually small (<10). Here, we propose a single-molecule diode based on an orbital resonance while using the highest occupied molecular orbital (HOMO) and HOMO-1 as transport channels. Our proposed diode design is based on an asymmetric two-site model and analyzed with DFT + NEGF calculations. We find high rectification ratios, even in the case of symmetric coupling to the electrodes. In addition, we show that diode parameters such as the operating voltage and rectification ratio can be tuned by chemical design.