相关论文: Enhanced Thermoelectric Performance through Site-S…

Chemical doping is a critical factor in the development of new superconductors or optimizing the superconducting transition temperature (Tc) of the parent superconducting materials. Herein, a new simple urea approach is developed to…

A new approach is developed to calculate temperature dependent Seebeck coefficient of heavily doped systems by using Boltzmann transport theory and electron density of states (DOS) obtained from density functional calculations. This…

It is well known that the efficiency of a good thermoelectric material should be optimized with respect to doping concentration. However, much less attention has been paid to the optimization of the dopant's energy level. Thermoelectric…

We report a significant enhancement (~269%) in the power factor (PF) and a local structural transition in Ni-doped TiCoSb samples (TiCo_{1-x}Ni_xSb, (x= 0.0, 0.01, 0.02, 0.03, 0.04, and 0.06). First-principles calculations reveal that even…

The thermoelectric properties of polythiophene (PT) coupled to the Au (111) electrodes are studied based on density functional theory combined with nonequilibrium Green function formalism. Specially, the effect of Li and Cl adsorbents on…

We report the effect of Sn doping on the transport properties of the topological insulator Bi_{2}Te_{2}Se studied in a series of Bi_{2-x}Sn_{x}Te_{2}Se crystals with 0 \leq x \leq 0.02. The undoped stoichiometric compound (x = 0) shows an…

We present a study of the thermoelectric (Seebeck and Nernst) response in heavily overdoped, non-superconducting La$_{1.67}$Sr$_{0.33}$CuO$_4$. In spite of the electron-like curvature of the Fermi surface, the Seebeck coefficient is…

This study systematically investigates the effects of Ge, Ga, and Al doping on the mechanical and electronic properties of cubic Cr$_3$Si using first-principles density functional theory (DFT). Doping increases lattice constants from 4.50…

The effects of Rh doping on the thermoelectric properties of Pt1-xRhxAs2 (x = 0, 0.005, and 0.01) with pyrite structure were studied by conducting measurements of electrical resistivity rho, Seebeck coefficient S, and thermal conductivity…

Bi2Te3 based thermoelectric devices typically use a nickel layer as a diffusion barrier to block the diffusion of solder or copper atoms from the electrode into the thermoelectric material. Previous studies have shown degradation in the…

Arsenic doping in silicides has been much less studied compared with phosphorus. In this study, superconductivity is successfully induced by As doping in Mo$_5$Si$_3$. The superconducting transition temperature ($T_c$) reaches 7.7 K, which…

Silicon carbide nanoparticles with diameters around 8 nm and with narrow size distribution have been finely mixed with doped silicon nanopowders and sintered into bulk samples to investigate the influence of nanoinclusions on electrical and…

The effects of isovalent doping on the superconducting transition temperature Tc in novel 112-type iron arsenide Ca1-xLaxFeAs2 were studied by conducting measurements of electrical resistivity rho and magnetization M. P or Sb doping…

We have combined DFT calculations with the Boltzmann semiclassical transport theory to investigate the effect of selective hydrogenation on the thermoelectric properties of tetra-penta-deca-hexagonal graphene (TPDH-gr), a recently proposed…

Thermoelectric properties of the system La$_2$NiO$_{4+\delta}$ have been studied ab initio. Large Seebeck coefficient values are predicted for the parent compound, and to some extent remain in the hole-doped metallic phase, accompanied of…

Density functional calculations are used to investigate the effects of partial substitutional alloying of the B site in MgB2 with C and Be alone and combined with alloying of the Mg site with Cu. The effect of such substitutions on the…

We investigate the thermoelectric properties of ${\beta}$-FeSi$_{\text2}$ using first principles electronic structure and Boltzmann transport calculations. We report a high thermopower for both \textit{p}- and \textit{n}-type…

Angle-resolved photoemission spectroscopy (ARPES) reveals effects of electron doping, which is realized by Co and Ni substitution for Fe in FeTe$_{1-y}$Se$_{y}$ (y$\sim$0.35) superconductor. The data show consistent band shifts as well as…

Superconductivity of high critical temperature ($T_{c}$) superconductors is usually realized through chemical dopant or application of pressure in a similar way to induce charge carriers of either electrons or holes into their parent…

Scanning tunneling microscopy and transport measurements have been performed to investigate the electronic structure and its temperature dependence in heavily Sr and Na codoped PbTe, which is recognized as one of the most promising…