← Back to Search
Influence Of Anchoring Groups On Single-molecular Junction Conductance: Theoretical Comparative Study Of Thiol And Amine
F. Xie, F. Xie, Z. Fan, K. Chen, X. Zhang, Mengqiu Long
Published 2017 · Chemistry
Save to my Library
Download PDFAnalyze on Scholarcy
Abstract Understanding the transport characteristics of single molecules bonded between metal electrodes is of fundamental importance for molecular scale electronics. By performing first-principle quantum transport calculations, we investigate the influence of anchoring groups on the conductance of a single molecular junction. The results indicated that the conductance of a single-molecule anchoring the Au electrode with thiol can be enhanced obviously by changing the anchoring group with amine. More importantly, the negative differential resistance behavior is found in the I-V characteristic of this single-molecule junction with thiol anchoring group, which also can be enlarged remarkably by replacing the anchoring group with amine. The results suggest that the diamine as anchoring group has a great potential in molecular electronics.
This paper references
Molecule-electrode interfaces in molecular electronic devices.
Chuancheng Jia (2013)
Switching, Dual Spin-Filtering Effects, and Negative Differential Resistance in a Carbon-Based Molecular Device
Haiqing Wan (2012)
Self-assembled monolayers of thiolates on metals as a form of nanotechnology.
J. Love (2005)
Effect of metal complexation on the conductance of single-molecular wires measured at room temperature.
J. Ponce (2014)
The site effects of B or N doping on I-V characteristics of a single pyrene molecular device
Z. Fan (2012)
Electron transport in molecular junctions
N. Tao (2006)
First-principles study of hydrogenated carbon nanotubes: A promising route for bilayer graphene nanoribbons
P. Chen (2012)
Tunable Magnetism in Transition-Metal-Decorated Phosphorene
Xuelei Sui (2015)
Variability of conductance in molecular junctions.
J. Ulrich (2006)
Single molecular conductance of tolanes: experimental and theoretical study on the junction evolution dependent on the anchoring group.
Wenjing Hong (2012)
Generalized many-channel conductance formula with application to small rings.
Theoretical study of the nonlinear conductance of di-thiol benzene coupled to Au(111) surfaces via thiol and thiolate bonds
K. Stokbro (2003)
Exploring local currents in molecular junctions.
G. Solomon (2010)
The effects of spin-filter and negative differential resistance on Fe-substituted zigzag graphene nanoribbons
S. Yan (2014)
Spin-filtering and rectification effects in a Z-shaped boron nitride nanoribbon junction.
Haiqing Wan (2013)
Impact of derivatization on electron transmission through dithienylethene-based photoswitches in molecular junctions.
C. van Dyck (2013)
Molecular junctions based on SAMs of cruciform oligo(phenylene ethynylene)s.
Z. Wei (2012)
Negative differential resistance and rectification effects in step-like graphene nanoribbons
Yipeng An (2015)
Negative differential resistance and rectifying behaviors in phenalenyl molecular device with different contact geometries
Z. Fan (2010)
Molecular-Scale Electronics: From Concept to Function.
D. Xiang (2016)
Effect of electrode twisting on electronic transport properties of atomic carbon wires
Z. Fan (2016)
The magnetism and spin-dependent electronic transport properties of boron nitride atomic chains.
Yipeng An (2016)
Molecular rectifiers: a new design based on asymmetric anchoring moieties.
C. Van Dyck (2015)
Density-functional method for nonequilibrium electron transport
M. Brandbyge (2002)
Stability of single- and few-molecule junctions of conjugated diamines.
M. T. González (2013)
Charge transport in single Au / alkanedithiol / Au junctions: coordination geometries and conformational degrees of freedom.
C. Li (2008)
Effects of amino-nitro side groups on electron device of oligo p-phenylenevinylene molecular between ZGNR electrodes
X. Li (2015)
Impact of Anchoring Groups on Ballistic Transport: Single Molecule vs Monolayer Junctions
Veronika Obersteiner (2015)
Ab initio modeling of quantum transport properties of molecular electronic devices
J. Taylor (2001)
Half-metallicity and spin-polarization transport properties in transition-metal atoms single-edge-terminated zigzag α-graphyne nanoribbons
M. Li (2017)
Carbon Electrode-Molecule Junctions: A Reliable Platform for Molecular Electronics.
Chuancheng Jia (2015)
Single-molecule circuits with well-defined molecular conductance.
L. Venkataraman (2006)
Molecular Junctions: Control of the Energy Gap Achieved by a Pinning Effect
C. Dyck (2017)
Conformational Molecular Rectifiers
and Alessandro Troisi (2004)
Low bias negative differential resistance in C60 dimer modulated by gate voltage
P. Zhao (2013)
Spin filtering effect and magnetoresistance in zigzag 6, 6, 12-graphyne nanoribbon system
Y. Zhou (2014)
High-efficiency switching effect in porphyrin-ethyne-benzene conjugates.
Yipeng An (2011)
Fermi Level Pinning and Orbital Polarization Effects in Molecular Junctions: The Role of Metal Induced Gap States
C. Dyck (2014)
Molecular engineering and measurements to test hypothesized mechanisms in single molecule conductance switching.
A. Moore (2006)
Single-molecule conductance of functionalized oligoynes: length dependence and junction evolution.
P. Moreno-García (2013)
Perfect spin filtering, rectifying and negative differential resistance effects in armchair graphene nanoribbons
D. Zhang (2017)
This paper is referenced by
Electron transport analysis in positional isomers - A DFT-NEGF approach
A. Aadhityan (2019)
Exploring how the hydrogen at the gold-sulfur interface affects spin transport in single-molecule junctions
Jing Zeng (2020)
Tuning electronic transport properties of wide antimonene nanoribbon via edge hydrogenation and oxidation
F. Xie (2020)
Spin multiple functional devices in zigzag-edged graphyne nanoribbons based molecular nanojunctions
H. Li (2020)
Enhancement of magnetoresistance and current spin polarization in single-molecule junctions by manipulating the hybrid interface states via anchoring groups
S. Qiu (2019)
Nanoscale Organic Thermoelectric Materials: Measurement, Theoretical Models, and Optimization Strategies
Yu‐Jia Zeng (2020)
Modulating hybrid interface states in magnetic molecular junctions by molecular geometrical torsion
S. Qiu (2019)
Controlling the electronic transport property of a molecular organic device by the heavy metal atomic manipulation
Xingqian Cui (2020)