Density functional theory (DFT) and the non-equilibrium Green's function (NEGF) formalism
in the linear response regime were employed to investigate the impact of do** on the …

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

As a new type of semiconductor memory device, memristors receive wide attention because
of their ability to realize multilevel memory and synapse‐like learning. However, memristors …

Synaptic strengths between neurons in brain networks are highly adaptive due to synaptic
plasticity. Spike-timing-dependent plasticity (STDP) is a form of synaptic plasticity induced by …

The thermoelectric properties of zigzag graphene nanoribbons (ZGNRs) are sensitive to
chemical modification. In this study, we employed density functional theory (DFT) combined …

Thermal and electron transport through organic molecules attached to three-dimensional
gold electrodes in two different configurations, namely para and meta with thiol-terminated …

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