Online citations, reference lists, and bibliographies.
← Back to Search

Theoretical Demonstration Of Symmetric I-V Curves In Asymmetric Molecular Junction Of Monothiolate Alkane

H. Hao, Xingqiang Shi, Z. Zeng
Published 2009 · Engineering, Computer Science

Cite This
Download PDF
Analyze on Scholarcy
Share
A molecular junction of an asymmetric molecule generally demonstrates an asymmetric current-voltage (I-V) curve, due to the unequal voltage drops at the two molecule-electrode contacts. However, for asymmetric S(CH"2)"nCH"3 molecules, symmetric I-V curves are always obtained in the experimental measurements. Here, we investigate the electronic transport of the Au-S(CH"2)"7CH"3-Au molecular junction in order to reveal the mechanism of the symmetric I-V curve with ATK package, in which the density functional theory is combined with Keldysh nonequilibrium Green's function method to calculate the electronic and transport properties of nanoscale systems. And the symmetric I-V curve can be interpreted by the curved surface model, which reproduces curved surface of the top electrode in the experiment.
This paper references
10.1126/SCIENCE.1081572
Electron Transport in Molecular Wire Junctions
A. Nitzan (2003)
10.1088/0957-4484/15/7/051
Electrical resistance: an atomistic view
S. Datta (2004)
10.1021/JP052348S
Analysis of the causes of variance in resistance measurements on metal-molecule-metal junctions formed by conducting-probe atomic force microscopy.
Vincent B. Engelkes (2005)
10.1103/PHYSREVLETT.79.2530
Current-Voltage Characteristics of Self-Assembled Monolayers by Scanning Tunneling Microscopy
S. Datta (1997)
10.1103/PHYSREVLETT.89.138301
Theory of rectification in tour wires: the role of electrode coupling.
J. Taylor (2002)
10.1088/0953-8984/14/11/302
The SIESTA method for ab initio order-N materials simulation
J. M. Soler (2001)
10.1021/JA0268332
Contact resistance in metal-molecule-metal junctions based on aliphatic SAMs: effects of surface linker and metal work function.
Jeremy M. Beebe (2002)
10.1017/cbo9781139164313
Quantum Transport: Atom to Transistor
S. Datta (2004)
10.1021/JA046274U
Length-dependent transport in molecular junctions based on SAMs of alkanethiols and alkanedithiols: effect of metal work function and applied bias on tunneling efficiency and contact resistance.
Vincent B. Engelkes (2004)
10.1103/PHYSREVB.63.245407
Ab initio modeling of quantum transport properties of molecular electronic devices
J. Taylor (2001)
10.1063/1.2807624
Electronic transport in mesoscopic systems
S. Datta (1995)
10.1103/PhysRevB.65.165401
Density-functional method for nonequilibrium electron transport
M. Brandbyge (2002)
10.1016/S1369-7021(05)70984-6
Metal-molecule contacts
J. Kushmerick (2005)



This paper is referenced by
Semantic Scholar Logo Some data provided by SemanticScholar