Related papers: Large thermoelectric efficiency of doped polythiop…
Recent experiments on electron- or hole-doped SrTiO$_{3}$ have revealed a hitherto unknown form of superconductivity, where the Fermi energy of the paired electrons is much lower than the energies of the bosonic excitations thought to be…
Inhomogeneously doped thermoelectric nanomaterials with a delta-function electronic density of states can operate with Carnot efficiency in the absence of phonon heat leaks. Here we self-consistently calculate the efficiency and power from…
We study the coupled particle and energy transport in a prototype model of interacting one-dimensional system: the disordered hard-point gas, for which numerical data suggest that the thermoelectric figure of merit ZT diverges with the…
Metal-string complexes in the quasi-1D framework may play an important role in molecular electronics by serving not only as nanoscale interconnects but also as active functional elements for nanoelectronic devices. However, because of the…
Understanding phonon transport at a molecular scale is fundamental to the development of high-performance thermoelectric materials for the conversion of waste heat into electricity. We have studied phonon and electron transport in alkane…
Lewis acids like tris(pentafluorophenyl)borane (BCF) offer promising routes for efficient $p$-doping of organic semiconductors. The intriguing experimental results achieved so far call for a deeper understanding of the underlying doping…
The electronic structures and thermoelectric properties of $\mathrm{Cs_2[PdCl_4]I_2}$ are investigated by the first-principles calculations and semiclassical Boltzmann transport theory. Both electron and phonon transport are considered to…
Recent developments in nanoscale experimental techniques made it possible to utilize single molecule junctions as devices for electronics and energy transfer with quantum coherence playing an important role in their thermoelectric…
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 apply the generalized Boltzmann theory to describe thermoelectric transport properties of monolayer phosphorene in the presence of short- and long-range charged impurity interactions. First, we propose a low-energy Hamiltonian to explore…
Graphene has been studied in detail due to its mechanical, electrical, and thermal properties. It is well documented that the introduction of dopants or defects in the lattice can be used to tune material properties for a specific…
In the present work, we investigate the thermoelectric properties of a T-shaped double quantum dot system coupled to two metallic leads incorporating the intra-dot Coulomb interaction. We explore the role of the interference effects and…
Ab-initio calculations based on density functional theory (DFT) have been performed to study the optical properties of pure graphene and have been compared to that of individual boron (B), nitrogen (N) and BN co-doped graphene sheet. The…
We propose experimental protocols to reveal thermoelectric and thermal effects in the transport properties of ultracold fermionic atoms, using the two-terminal setup recently realized at ETH. We show in particular that, for two reservoirs…
Density functional theory (DFT) and DFT corrected for on-site Coulomb interactions (DFT+U) calculations are presented on Aluminium doping in bulk TiO$_2$ and the anatase (101) surface. Particular attention is paid to the mobility of oxygen…
Helium nanodroplets are widely used as a cold, weakly interacting matrix for spectroscopy of embedded species. In this work we excite or ionize doped He droplets using synchrotron radiation and study the effect onto the dopant atoms…
This paper reports thermopower and conductivity measurements through the metal-insulator transition for 2-dimensional electron gases in high mobility Si-MOSFETs. At low temperatures both thermopower and conductivity show critical behaviour…
We derive formal expressions of time-dependent energy and heat currents through a nanoscopic device using the Keldysh nonequilibrium Green function technique. Numerical results are reported for a metal/dot/metal junction where the dot level…
Coherent charge and heat transport through periodically driven nanodevices provide a platform for studying thermoelectric effects on the nanoscale. Here we study a junction comprising a quantum dot connected to two fermionic terminals by…
We present comparative theoretical investigation of thermoelectric power and Hall effect in the Hubbard model for correlated metal and Mott insulator (considered as prototype cuprate superconductor) for different concentrations of current…