Dual conductance, negative differential resistance, and rectifying behavior in a molecular device modulated by side groups

The Journal of Chemical Physics
Haiqing WanGuanghui Zhou

Abstract

We investigate the electronic transport properties for a molecular device model constructed by a phenylene ethynylene oligomer molecular with different side groups embedding in a carbon chain between two graphene electrodes. Using the first-principles method, the unusual dual conductance, negative differential resistance (NDR) behavior with large peak to valley ratio, and obvious rectifying performance are numerically observed in such proposed molecular device. The analysis of the molecular projected self-consistent Hamiltonian and the evolution of the frontier molecular orbitals (MOs) as well as transmission coefficients under various external voltage biases gives an inside view of the observed results, which suggests that the dual conductance behavior and rectifying performance are due to the asymmetry distribution of the frontier MOs as well as the corresponding coupling between the molecule and electrodes. But the NDR behavior comes from the conduction orbital being suppressed at certain bias. Interestingly, the conduction properties can be tuned by introducing side groups to the molecule and the rectification as well as the NDR behavior (peak to valley ratio) can be improved by adding different side groups in the device mo...Continue Reading

References

Dec 15, 1996·Physical Review. B, Condensed Matter·K NakadaM S Dresselhaus
Apr 4, 2002·Journal of the American Chemical Society·J CornilJ L Brédas
Sep 13, 2002·Physical Review Letters·Jeremy TaylorKurt Stokbro
Aug 25, 2006·The Journal of Physical Chemistry. B·X Q ShiZ Zeng
Nov 17, 2006·Nature·Young-Woo SonSteven G Louie
Dec 13, 2006·Physical Review Letters·Young-Woo SonSteven G Louie
Aug 7, 2007·Physical Review Letters·Mohammad KoleiniMads Brandbyge
Jul 18, 2008·Nature·Jannik C MeyerA Zettl
Jun 13, 2009·Physical Review Letters·Chuanhong JinSumio Iijima
Aug 8, 2009·Physical Review Letters·Luca RavagnanPaolo Milani
Aug 4, 2010·Journal of the American Chemical Society·Lei ShenYuanping Feng
Mar 17, 2011·Journal of Physics. Condensed Matter : an Institute of Physics Journal·G P ZhangK M Ho
Sep 17, 2008·Journal of Physics. Condensed Matter : an Institute of Physics Journal·R StadlerJ Cornil

❮ Previous
Next ❯

Citations

May 3, 2014·The Journal of Chemical Physics·Jing HuangJinlong Yang
Dec 22, 2016·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Xiongwen ChenGuanghui Zhou

❮ Previous
Next ❯

Software Mentioned

Atomistix ToolKit

Related Concepts

Related Feeds

Cardiac Conduction System

The cardiac conduction system is a specialized tract of myocardial cells responsible for maintaining normal cardiac rhythm. Discover the latest research on the cardiac conduction system here.