Rationally designing roll-to-roll printed organic photovoltaics (OPVs) requires a fundamental
understanding of active layer morphologies optimised for charge separation and transport …

Single‐molecule devices, which are fabricated by the single molecule bridged through
electrodes, provide a promising approach to investigate the intrinsic chemical or physical …

The isolated cyclo [18] carbon (C18), as a newly synthesized carbon allotrope, has potential
to become the core unit of high‐end electronic devices due to its excellent physical …

Instead of asymmetric molecular substitution, we investigate the molecular rectification
originating from asymmetrical electrode− molecule contacts using density functional theory …

We study the electronic transport property for a molecular device of an oligo (p-
phenylenevinylene)(OPV) molecule without or with different side groups between two zigzag …

Molecular electronics has recently attracted a lot of attention due to promising application in
nanoscale electronic devices. In this review we highlight recent results in this field, focusing …

Electron transport through a series of molecular junctions (CTP-M) composed of two
carboxyl thiophenols (CTPs) on each gold electrode coordinating with a divalent metallic ion …

Mechanically controlled break-junction techniques, which emerged right after the invention
of scanning tunneling microscopy, have enabled substantial progress in characterizing …

We have investigated, by means of a nonequilibrium Green's function method coupled to
density functional theory, the electronic transport properties of molecular junctions …

We investigate, by means of ab initio calculations, electronic transport in molecular junctions
composed of a biphenyl molecule attached to metallic carbon nanotubes. We find that the …