5.8k citations · 7.1k across the 5 of their papers we have counts for
5 papers
Conductance switching in a molecular device: the role of sidegroups and intermolecular interactio
Jeremy Taylor, Mads Brandbyge, Kurt Stokbro
We report first-principles studies of electronic transport in monolayers of Tour wires functionalized with different side groups. An analysis of the scattering states and transmiss…
Density functional method for nonequilibrium electron transport
Mads Brandbyge, Jose-Luis Mozos, Pablo Ordejon +2
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite…
I-V characteristics and differential conductance fluctuations of Au nanowires
H. Mehrez, Alex Wlasenko, Brian Larade +3
Electronic transport properties of Au nano-structure are investigated using both experimental and theoretical analysis. Experimentally, stable Au nanowires were created using mecha…
ab initio modeling of open systems: charge transfer, electron conduction, and molecular switching of a C_{60} device
Jeremy Taylor, Hong Guo, Jian Wang
We present an {\it ab initio} analysis of electron conduction through a molecular device. Charge transfer from the device electrodes to the molecular region is found to pl…
Carbon Nanotube Based Magnetic Tunnel Junctions
H. Mehrez, Jeremy Taylor, Hong Guo +2
Spin-coherent quantum transport in carbon nanotube magnetic tunnel junctions was investigated theoretically. A spin-valve effect is found for metallic, armchair tubes, with a magne…