Related papers: Heat dissipation and its relation to thermopower i…
We numerically investigate the thermoelectric properties of a triangle quantum dot connected to metallic electrodes using the non-equilibrium Green's function method in the Anderson model. Exploiting the equation of motion method in the…
We investigate the heat conduction properties of molecular junctions comprising anharmonic interactions. We find that nonlinear interactions can lead to novel phenomena: it negative differential thermal conductance and heat rectification.…
We propose a possible route to achieve high thermoelectric efficiency in molecular junctions by combining a local chemical tuning of the molecular electronic states with the use of semiconducting electrodes. The former allows to control the…
Understanding heating and cooling mechanisms in mesoscopic superconductor-semiconductor hybrid devices is crucial for their application in quantum technologies. Owing to the poor thermal conductivity of typical devices, heating effects can…
We investigate the power dissipated by an electronic current flowing through a quantum point contact in a two-dimensional electron gas. Based on the Landauer-B\"uttiker approach to quantum transport, we evaluate the power that is dissipated…
We report a theoretical study of the thermopower of single-molecule junctions, with focus on phenyl-based molecular junctions. In contrast to prior studies, thermal fluctuations of the torsional angle between the phenyl rings and variations…
We investigate the problem of heat conduction across a molecular junction connecting two nanoparticles, both in vacuum and in a liquid environment, using classical molecular dynamics simulations. In vacuum, the well-known result of a length…
We consider several fundamental optical phenomena involving single molecules in biased metal-molecule-metal junctions. The molecule is represented by its highest occupied and lowest unoccupied molecular orbitals, and the analysis involves…
We report a method using scanning tunnelling microscope single molecular break junction to simultaneously measure and correlate the single-molecule thermopower and electrical conductance. In contrast to previously reported approaches, it…
Understanding energy transport at the nanoscale is an open and fundamental challenge in the molecular sciences with direct implications for the design of new electronics, computing devices, and materials. While nanoscale energy transport…
We present a consistent theory of energy balance and conversion in a single-molecule junction with strong interactions between electrons on the molecular linker (dot) and phonons in the nuclear environment where the Marcus-type electron…
We develop a general theory for thermal transport in anharmonic systems under the weak system-bath coupling approximation similar to the quantum master equation formalism. A current operator is derived, which is valid not only in the steady…
We analyze the heat current flowing across interacting quantum dots within the Coulomb blockade regime. Power can be generated by either voltage or temperature biases. In the former case, we find nonlinear contributions to the Peltier…
We study heating and heat dissipation of a single \c60 molecule in the junction of a scanning tunneling microscope (STM) by measuring the electron current required to thermally decompose the fullerene cage. The power for decomposition…
Heating and heat conduction in molecular junctions are considered within a general NEGF formalism. We obtain a unified description of heating in current carrying molecular junctions as well as the electron and phonon contributions to the…
We present an original method to estimate the conductivity of a single molecule anchored to nanometric-sized metallic electrodes, using a Mechanically Controlled Break Junction (MCBJ) operated at room temperature in liquid. We record the…
The thermoelectric transport through a molecular bridge is discussed, with an emphasis on the effects of inelastic processes of the transport electrons caused by the coupling to the vibrational modes of the molecule. In particular it is…
To investigate the initial process of Joule heating in semiconductors microscopically and quantitatively, we developed a theoretical framework for the ab initio evaluation of the carrier energy relaxation in semiconductors under a high…
We discuss heat transport through a Josephson tunnel junction under various bias conditions. We first derive the formula for the cooling power of the junction valid for arbitrary time dependence of the Josephson phase. Combining it with the…
A first-principles approach is presented for the thermoelectricity in molecular junctions formed by a single molecule contact. The study investigates the Seebeck coefficient considering the source-drain electrodes with distinct temperatures…