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Here, we study the thermoelectric properties of topological semimetal CoSi in the temperature range $300-800$ K by using combined experimental and density functional theory (DFT) based methods. CoSi is synthesized using arc melting…
Water exhibits remarkable anomalies when supercooled, attributed to a hypothesized liquid-liquid phase transition (LLPT) between low-density (LDL) and high-density (HDL) liquid phases. Using non-equilibrium molecular dynamics simulations,…
We explore the electric-field effect of carbon nanotubes (NTs) in electrolytes. Due to the large gate capacitance, Fermi energy shifts of order +/- 1 V can be induced, enabling to tune NTs from p to n-type. Consequently, large resistance…
The incorporation of ceramics into polymers, forming solid composite electrolytes (SCEs) leads to enhanced electrical performance of all-solid-state lithium metal batteries. This is because the dispersed ceramics particles increase the…
We report the evolution of thermal transport properties of iron-based superconductor K$_x$Fe$_{2-y}$Se$_2$ with sulfur substitution at Se sites. Sulfur doping suppresses the superconducting $T_c$ as well as the Seebeck coefficient. The…
In this work, we investigate the electrical conductivity of carbon nanotubes (CNTs), with a particular focus on the effects of doping. Using a first-principles approach, we study the electronic structure, phonon dispersion, and…
The lithium transport mechanism in ternary polymer electrolytes, consisting of PEO/LiTFSI and various fractions of the ionic liquid N-methyl-N-propylpyrrolidinium bis(trifluoromethane)sulfonimide, are investigated by means of MD…
In this paper we study the size effects of the ferroelectric nanotube phase diagrams and polar properties allowing for effective surface tension and depolarization field influence. The approximate analytical expression for the…
It is believed that nanostructuring is an effective way to achieve excellent thermoelectric performance. In the work, by combining the first-principles calculations and semiclassical Boltzmann transport theory, we investigate the…
We theoretically study the electrolyte Seebeck effect in the vicinity of a heated metal nanostructure, such as the cap of an active Janus colloid in an electrolyte, or gold- coated interfaces in optofluidic devices. The thermocharge…
We investigate the thermoelectric properties of a one-dimensional quantum system in the presence of an external driving. We employ Floquet scattering theory to calculate linear-response stationary thermoelectric figures of merit in a…
Advanced supercapacitors have great potential to transform how we store and utilize energy, leading to more efficient and sustainable energy systems. This study reveals the structural features influencing the interfacial thermal transport…
We study the thermoelectric effect of two-dimensional metals on a square lattice within semiclassical Boltzmann transport theory with particular focus on electron-electron scattering. We compute the electrical conductivity and the Seebeck…
We propose a novel actuation mechanism for colloids, which is based on the Seebeck effect of the electrolyte solution: Laser heating of a nonionic particle accumulates in its vicinity a net charge Q, which is proportional to the excess…
The Seebeck and Soret coefficients of ionically stabilized suspension of maghemite nanoparticles in dimethyl sulfoxide are experimentally studied as a function of nanoparticle volume fraction. In the presence of a temperature gradient, the…
Dimensionality tuning is an important method to modify the electronic states of quantum materials. However, the mechanism of such tuning in heavy fermion systems and its connection with transport properties remain largely unexplored. Here…
Modelling the ionic transport in battery cells requires precise parametrization of the involved electrolytes. For carbonate-based electrolytes, however, the evaluation of their parameters suffers from interphase effects between the bulk…
Using first-principles calculations combined with Boltzmann transport theory, we investigate the effects of topological edge states on the thermoelectric properties of Bi nanoribbons. It is found that there is a competition between the edge…
The strikingly different charge transport behaviors in nanocomposites of multiwall carbon nanotubes (MWNTs) and conducting polymer polyethylene dioxythiophene - polystyrene sulfonic acid (PEDOT-PSS) at low temperatures are explained by…
Single-ion Soret coefficients $\alpha_{i}$ characterize the tendency of ions in an electrolyte solution to move in a thermal gradient. When these coefficients differ between cations and anions, an electric field can be generated. For this…