2 papers
cond-mat.mes-hall2021
Fast Fisher-Lee approach for conductance calculations on BTB-based molecular junctions: effects of isomerization and electrode coupling
Sylvain Pitié, Mahamadou Seydou, Yannick. J. Dappe +3
In this work, we have implemented the Fisher-Lee formalism to couple non-equilibrium Green functions with tight-binding Density Functional to tackle large molecular systems. This m…
physics.app-ph2018
Rectification effect in organic junctions based on aryl thin films covalently attached to a multilayer graphene electrode
Clément Barraud, Matthieu Lemaitre, Roméo Bonnet +8
The quantum interaction between molecules and electrode s material at molecules-electrode interfaces is a major ingredient in the electronic transport properties of organic junctio…