In the era of nanoscience where all the devices and technologies are going to smaller and
smaller in size with improved properties; catalysis is an important field of application. In this …

Transport of electrons in a single molecule junction is the simplest problem in the general
subject area of molecular electronics. In the past few years, this area has been extended to …

We apply a first-principles computational approach to study a light-sensitive molecular
switch. The molecule that comprises the switch can convert between a trans and a cis …

The electronic conductance of a benzene molecule connected to gold electrodes via thiol,
thiolate, or amino anchoring groups is calculated using nonequilibrium Green functions in …

Electrical transport through molecules has been much studied since it was proposed that
individual molecules might behave like basic electronic devices, and intriguing single …

Abstract Die besonderen Eigenschaften des Golds sind entscheidend durch relativistische
Effekte bestimmt. Mittlerweile existiert eine Vielzahl zuverlässiger Rechnungen zu …

Developing a fundamental understanding of molecular conduction in different device
environments is essential to the advance of molecular electronics. We show through a …

The manufacture of integrated circuits with single-molecule building blocks is a goal of
molecular electronics. While research in the past has been limited to bulk experiments on …

Electronic transport through ruthenium-based redox-active organometallic molecules is
measured by self-assembling diruthenium (III) tetra (2-anilinopyridinate)-di (4 …

We theoretically investigate inelastic transport through anisotropic magnetic molecules
weakly coupled to one ferromagnetic and one nonmagnetic lead. We find that the current is …