Molecular wires are compounds that are proposed to be used in molecular electronic and
optoelectronic devices to replace the metal and silicon-based wires in semiconductor …

Molecular electronics and optoelectronics depend for their existence on the molecular
organization of space. The fundamental mechanisms underlying the rich phenomena that …

The effect of the presence or absence of chemical bonds between alkyl chain monolayers
and the contacts in metal/molecule/semiconductor junctions on the current− voltage …

Using Hg/alkyl-chain-monolayer/p-Si devices we find that the type of contact between the
chains and the electrodes (chemical bonding or not) is of critical importance for electronic …

The existence of a quantum loop current in a C 60 molecular bridge is predicted using the
Green's function method. The model for the molecular bridge consists of a C 60 molecule …

We study the current through molecular films as a function of the orientation of the molecules
in the film with respect to electrodes. It may change by more than an order of magnitude …

Interfacial charge-transfer is a topic with wide relevance in many research fields, and there is
intense scientific interest to characterize and understand the nature and mechanisms of …

The dc electrical conductance of several di-substituted benzenes, as well as pyrazine and
biphenyl, linking two metal electrodes is computed using the density functional formalism …

Molecular electronics can be developed if we are able to program a random arrangement of
molecules or a field-programmable molecular random array. The ansatz that small …

To fully account for electron-vibrational coupling and vibrational relaxation in the course of
electron motion through a molecular wire a density operator approach is utilized. If …