This paper reviews the present status of unimolecular electronics (UME). The field started in
the 1970s with a hope that some day organic molecules (∼ 2 nm in size), when used as …

Employing multiscale in silico modeling, we propose switching molecular diodes on the
basis of endohedral fullerenes (fullerene switching diode, FSD), encapsulated with polar …

We report a robust approach to fabricate single-molecule transistors with covalent electrode–
molecule–electrode chemical bonds, ultrashort (∼ 1 nm) molecular channels, and high …

Single-molecule junctions are the constitutive components of molecular electronics circuits.
For any potential application, the energy gap in the junction, ie, the accumulated energy …

Single molecular magnets (SMMs) have become promising paradigms to develop novel
spintronics for futuristic information technologies such as high-density information and …

The development of molecular components functioning as switches, rectifiers or amplifiers is
a great challenge in molecular electronics. A desirable property of such components is …

Design principles for molecules with intrinsic directional charge transport will likely prove
crucial for breakthroughs in nanotechnology and other emerging fields like biosensors and …

We extend the Landauer-Büttiker probe formalism for conductances to the high bias regime
and study the effects of environmentally induced elastic and inelastic scattering on charge …

We have properly investigated the electrical conductance of ruthenium-tris-bipyridine
(RuBpy) metal complex molecule by using quantum chemistry package supported by non …

Organic, conjugated donor–acceptor (D–A) systems are essential components of
photovoltaic devices. Design and optimization of D–A systems is typically based on trial-and …