End-chain exploration of Non-Fullerene Acceptors is an efficient approach to amplify the
photovoltaic properties of organic solar cells (OSCs). This green energy technology has …

Theoretical studies suggest that mastering the thermocurrent through single molecules can
lead to thermoelectric energy harvesters with unprecedentedly high efficiencies.,,,,–This can …

Entropy is one of the most fundamental quantities in physics. For systems with few degrees
of freedom, the value of entropy provides a powerful insight into its microscopic dynamics …

This study addresses the influences of the topography of the bottom electrodes on the
properties of the thermoelectric effects across molecular wires made from self-assembled …

We consider a molecular junction immersed in a solvent where the electron transfer is
dominated by Marcus-type steps. However, the successive nature of the charge transfer …

Marcus and Landauer–Büttiker approaches to charge transport through molecular junctions
describe two contrasting mechanisms of electronic conduction. In previous work, we have …

The realization of single-molecule thermal conductance measurements has driven the need
for theoretical tools to describe conduction processes that occur over atomistic length scales …

The energy dependent thermoelectric response of a single molecule contains valuable
information about its transmission function and its excited states. However, measuring it …

The entropy of a system gives a powerful insight into its microscopic degrees of freedom;
however, standard experimental ways of measuring entropy through heat capacity are hard …

Experimental studies on single-molecule junctions are typically in need of a simple
theoretical approach that can reproduce or be fitted to experimentally measured transport …