Rapid progress of nanotechnology requires developing novel theoretical methods to explain
complicated experimental results and predict new functions of nanodevices. Thus, for the …

The “Quo Vadis?” meeting in Bremen (March 2013) was a spectacular opportunity for
people involved in molecular electronics to catch up on the latest, to think back, and to …

The immobilization of molecular switches onto inorganic supports has recently become a hot
topic as it can give rise to novel hybrid materials in which the properties of the two …

The interaction of light with molecular conduction junctions is attracting growing interest as a
challenging experimental and theoretical problem on one hand, and because of its potential …

The ability to control the conductance of single molecules will have a major impact in
nanoscale electronics,,,,,,,,,,. Azobenzene, a molecule that changes conformation as a result …

We present time dependent density functional theory (TDDFT) calculations for a tetrahedral
Au20 complex interacting with pyridine for the purpose of modeling absorption and surface …

We present ab initio calculations for spin-dependent electron transport in a molecular device
constructed by two carbon chains capped with a phenyl ring, which is sandwiched between …

Molecular electronics is partly driven by the goal of producing active electronic elements that
rival the performance of their solid-state counterparts, but on a much smaller size scale. We …

Motivated by an interest in fundamental science and practical applications, researchers in
molecular electronics have instigated rapid growth in this field over the past decade.[1] …

A new azobenzene− thiophene molecular switch is designed, synthesized, and used to form
self-assembled monolayers (SAM) on gold. An “on/off” conductance ratio up to 7× 103 (with …