Recent advances in experimental and computational methods are increasing the quantity
and complexity of generated data. This massive amount of raw data needs to be stored and …

Studies of molecular thermoelectrics help to reveal how atomic-detailed structural
modification in molecules can affect the thermopower of molecular-scale devices. This …

Break-junction techniques provide the possibility to study electric and thermoelectric
properties of single-molecule junctions in great detail. These techniques rely on the same …

Metal-molecule-metal junction is a promising candidate for thermoelectric applications that
utilizes quantum confinement effects in the chemically defined zero-dimensional atomic …

We study quantum transport through two-terminal nanoscale devices in contact with two
particle reservoirs at different temperatures and chemical potentials. We discuss the general …

Charge transfer characteristics of single-molecule junctions at the nanoscale, and
consequently, their thermoelectric properties can be dramatically tuned by chemical or …

A geometry-based mechanism for generating steady-state internal circulation of local
thermal currents is demonstrated by harmonically coupled quantum oscillators formulated by …

Molecular junction is a chemically-defined nanostructure whose discrete electronic states
are expected to render enhanced thermoelectric figure of merit suitable for energy …

Transport properties of molecular junctions are prone to chemical or conformational
modifications. Perturbation of the molecule-electrode coupling with anchoring groups or …

Electrical and mechanical properties of gold‐para‐benzenedimethanethiol (BDMT)‐gold
molecular junctions with different binding configurations have been investigated using …