64 citations · 64 across the 1 of their papers we have counts for
4 papers
Critical Roles of Metal-Molecule Contacts in Electron Transport Through Molecular-wire Junctions
A. Grigoriev, J. Skoeldberg, G. Wendin +1
We study the variation of electron transmission through Au-S-benzene-S-Au junctions and related systems as a function of the structure of the Au:S contacts. For junctions with semi…
Localization and hybridization of electronic states in thin films of Ag on V(100)
Predrag Lazic, Zeljko Crljen, Radovan Brako
We have studied the electronic states in 1-5 layers thick Ag films on V(100), by means of ab initio density functional calculations. Due to the mismatch of the electronic structure…
Nonlinear conductance in molecular devices: molecular length dependence
Z. Crljen, A. Grigoriev, G. Wendin +1
We theoretically study the electronic transport in the monolayer of dithiolated phenylene vinylene oligomeres coupled to the (111) surfaces of gold electrodes. We use non-equilibri…
Relaxation and reconstruction on (111) surfaces of Au, Pt, and Cu
Z. Crljen, P. Lazic, D. Sokcevic +1
We have theoretically studied the stability and reconstruction of (111) surfaces of Au, Pt, and Cu. We have calculated the surface energy, surface stress, interatomic force constan…