In contrast to the static operations of conventional semiconductor devices, the dynamic
conformational freedom in molecular devices opens up the possibility of using individual …

We demonstrate that the conductance switching of benzo-bis (imidazole) molecules upon
protonation depends on the lateral functional groups. The protonated H-substituted …

The state‐of‐the‐art density functional theory (DFT) has become an essential tool for the
investigation and development of molecular electronics at the electronic and atomic level. In …

Current-induced conformational switching in single-molecule junctions constitutes a
fundamental process in molecular electronics. Motivated by recent experiments on …

The creation of molecular electronic switches by using smart molecules is of great
importance to the field of molecular electronics. This requires a fundamental understanding …

Electrical switching of a single-molecule junction provides a practical module to perform
sophisticated operations in electronic devices. However, designing an all-electrically-driven …

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 …

In this paper we show that, beyond the particular models, utilizing an hybrid equilibrium/
nonequilibrium methodologies it is possible to create a general model for organics push …

The I/V characteristics of several photoswitching azobenzene derivatives connected to two
gold electrodes to form single-molecule junctions are investigated within the nonequilibrium …

The configuration of the molecule–electrode contact region plays an important role in
determining the conductance of a single-molecule junction, and the variety of possible …