相关论文: Seebeck coefficient of ionic conductors from Bayes…
The application of a temperature gradient to an extended system generates an electromotive force that induces an electric current in conductors and a macroscopic polarization in insulators. The ratio of the electromotive force to the…
We study the Seebeck effect in the three-dimensional Dirac electron system based on the linear response theory with Luttinger's gravitational potential. The Seebeck coefficient $S$ is defined by $S = L_{12} / L_{11} T$, where $T$ is the…
The influence of molecular vibration on the Seebeck coefficient is studied within a simple model. Results of a scattering theory approach are compared to those of a full self-consistent non-equilibrium Green's function scheme. We show, for…
We study the role of charge density-wave fluctuations on the temperature dependence of Seebeck coefficient in quasi-one dimensional conductors with a Peierls instability. The description of low-dimensional incommensurate charge density-wave…
The dependence of the actual/effective ionic concentration on the nominal salt concentration is experimentally investigated for aqueous solutions of NaCl and KCl. The actual ionic bulk density is determined by means of the impedance…
The Seebeck coefficient in liquids often reaches the mV/K range, yet its microscopic origin remains unclear due to the complexity of electrolyte systems. Here we propose a minimal electrostatic theory focusing on solvation entropy. Using…
We study the influence of inelastic electron-electron scattering on the temperature variation of the Seebeck coefficient in the normal phase of quasi-one-dimensional organic superconductors. The theory is based on the numerical solution of…
The evaluation of transport coefficients in extended systems, such as thermal conductivity or shear viscosity, is known to require impractically long simulations, thus calling for a paradigm shift that would allow to deploy state-of-the-art…
We report first-principles calculations of inelastic Seebeck coefficients in an aluminum monatomic junction. We compare the elastic and inelastic Seebeck coefficients with and without local heating. In the low temperature regime, the…
In this work, we present a semiclassical approach to model Intermolecular Coulombic Electron Capture (ICEC) in aqueous solutions using molecular dynamics simulations with OpenMM. We investigate the behavior of an excess electron in the…
A thermal gradient and/or a chemical potential gradient in a conducting medium can lead to an electric field, an effect known as thermoelectric effect or Seebeck effect. In the context of heavy-ion collisions, we estimate the thermoelectric…
We look for manifestations of quantum interference effects in the Seebeck coefficient of a molecular junction, when the electronic conductance exhibits pronounced destructive interference features due to the presence of quasi-degenerate…
Lithium chloride LiCl is widely used as a prototype system to study the strongly dissociated 1-1 electrolyte solution. Here, we combined experimental measurements and classical molecular dynamics simulations to study the ion conduction in…
We present the theory and implementation of a Poisson-Boltzmann implicit solvation model for electrolyte solutions. This model can be combined with arbitrary electronic structure methods that provide an accurate charge density of the…
Ionic thermoelectricity in nanochannels has received increasing attention because of its advantages such as high Seebeck coefficient and low cost. However, most studies have focused on dilute simple electrolytes that neglect the effects of…
The Seebeck coefficient, which is proportional to a ratio of the thermoelectric conductivity to electrical conductivity has been examined for Dirac electrons in the organic conductor $\alpha$-(BEDT-TTF)$_2$I$_3$ [BEDT-TTF denotes a molecule…
The Seebeck coefficient is examined for two-dimensional Dirac electrons in the three-quarter filled organic conductor alpha-(BEDT-TTF)_2I_3 under hydrostatic pressure, where the Seebeck coefficient is proportional to the ratio of the…
The Seebeck coefficient plays a fundamental role in identifying the efficiency of a thermoelectric device. Its theoretical evaluation for atomistic models is routinely based on Density Functional Theory calculations combined with the…
We derive a relationship for the electric field dependent ionic conductivity in terms of fluctuations of time integrated microscopic variables. We demonstrate this formalism with molecular dynamics simulations of solutions of differing…
Detailed comparisons between theory and experiment for quantum electrodynamics (QED) effects in He-like ions have been performed in the literature to search for hints of new physics. Different frequentist statistical analyses of the…