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Black phosphorus has attracted interest as a material for use in optoelectronic devices due to many favorable properties such as a high carrier mobility, field-effect, and a direct bandgap that can range from 0.3 eV in its bulk crystalline…

Black phosphorous is a layered material having a high capacity of 2596 mAh/g as a battery electrode, however it suffers from cracking due to high volume expansion during lithiation. These cracks causes loss of electrical contact in the…

Materials Science · Physics 2020-07-21 Burak Ozdemir

We investigated the thermoelectric properties of the 2D monolayer of WX2N4 using Density Functional Theory combined with Boltzmann Transport Equation. We obtained an outstanding thermoelectric figure of merit of 0.91 at 400K for p-type…

Materials Science · Physics 2023-04-03 Chayan Das , Dibyajyoti Saikia , Atanu Betal , Satyajit Sahu

Here we report a record thermoelectric power factor of up to 160 $\mu$ W m-1 K-2 for the conjugated polymer poly(3-hexylthiophene) (P3HT). This result is achieved through the combination of high-temperature rubbing of thin films together…

Thermoelectric device is a promising next-generation energy solution owing to its capability to transform waste heat into useful electric energy, which can be realized in materials with high elec- tric conductivities and low thermal…

Materials Science · Physics 2018-07-10 Kisung Chae , Seoung-Hun Kang , Seon-Myeong Choi , Duck Young Kim , Young-Woo Son

We report a combined theoretical and experimental search for thermoelectric materials based on semiconducting zinc antimony. Influence of three new doping elements (sodium, potassium and boron) on the electronic properties is investigated…

Materials Science · Physics 2014-08-27 K Niedziolka , R Pothin , F Rouessac , R M Ayral , P Jund

An experimental setup was developed for the measurement of the thermoelectric power (TEP, Seebeck coefficient) in the temperature range from 2 to 350 K and magnetic fields up to 140 kOe. The system was built to fit in a commercial cryostat…

Instrumentation and Detectors · Physics 2015-05-18 Eundeok Mun , Sergey L. Bud'ko , Milton S. Torikachvili , Paul C. Canfield

Thermal energy can be directly converted to electrical energy as a result of thermoelectric effects. Because this conversion realises clean energy technology, such as waste heat recovery and energy harvesting, substantial efforts have been…

Materials Science · Physics 2023-03-30 Byungki Ryu , Jaywan Chung , SuDong Park

Thermoelectricity in principle provides a pathway to put waste heat to good use. Motivated by this we investigate thermal and electrical transport properties of two new Fe-based Heusler alloys, FeTaSb and FeMnTiSb, by a first principles…

Materials Science · Physics 2018-06-26 Mohd Zeeshan , Tashi Nautiyal , Jeroen van den Brink , Hem C. Kandpal

Thermoelectrics involves both the generation of electrical power from heat flow, and the efficient refrigeration using electricity, which has been intensively focused on for two decades. The performance of thermoelectric power generation…

Materials Science · Physics 2014-06-10 Shuang Tang , Mildred Dresselhaus

The first order standard perturbation theory combined with ab initio projector augmented wave operator challenges the realization of the standard Sternheimer equation with linear computational efficiency. This efficiency motivates us to…

Materials Science · Physics 2018-10-05 Sushant Kumar Behera , Pritam Deb

We report a strategy based on introduction of point defects for improving the thermoelectric properties of FeSb2, a promising candidate for low temperature applications. Introduction of Sb deficiency to the tune of 20% leads to enhancement…

Materials Science · Physics 2015-05-01 Anup V. Sanchela , Ajay D. Thakur , C. V. Tomy

The thermoelectric properties of halide perovskites $\mathrm{CsMI_3}$ (M=Sn and Pb) are investigated from a combination of first-principles calculations and semiclassical Boltzmann transport theory by considering both the electron and…

Materials Science · Physics 2016-05-31 San-Dong Guo , Jian-Li Wang

Thermoelectric materials create an electric potential when subject to a temperature gradient and vice versa hence they can be used to harvest waste heat into electricity and in thermal management applications. However, finding highly…

Materials Science · Physics 2022-05-10 Enamul Haque , Claudio Cazorla , M. Anwar Hossain

We investigate electronic structures and thermoelectric properties of recent synthetic half-Heusler $\mathrm{ZrNiPb}$ by using generalized gradient approximation (GGA) and GGA plus spin-orbit coupling (GGA+SOC). Calculated results show that…

Materials Science · Physics 2016-03-29 San-Dong Guo

Thermoelectric materials with a high figure of merit (ZT) are highly demanded for a sustainable solution to the energy crisis. In this study, we have predicted three new double perovskite oxides (DPOs), Ba2GaXO6 (X = V, Nb, Ta), with high…

Materials Science · Physics 2025-11-04 S. S. Saif , M. M. Hossain , M. A. Ali

This paper reviews the emergence and progress of phosphorene FETs, all within about a year. In such a short time, back-gated FETs evolved into top-gated FETs, gate length was reduced to the sub-micron range, passivation by high-k…

Mesoscale and Nanoscale Physics · Physics 2016-01-11 Kuanchen Xiong , Xi Luo , James C. M. Hwang

Recently, the superionic thermoelectrics, which typify the novel `phonon-liquid electron-crystal' concept, have attracted enormous attention due to their ultralow thermal conductivity and high figure-of-merit (zT). However, their high zT is…

Materials Science · Physics 2022-06-28 Navita Jakhar , Nita Bisht , Ankita Katre , Surjeet Singh

By converting waste heat into electricity through the thermoelectric power of solids without producing greenhouse gas emissions, thermoelectric generators could be an important part of the solution to today's energy challenge. There has…

Materials Science · Physics 2011-06-07 Jin-Cheng Zheng

Polycrystalline samples of Er$_{1-x}$Ho$_x$NiSb ($x$ = 0, 0.2, 0.3, 0.5, 0.7, 0.8, 1) were characterized by means of x-ray powder diffraction (XRD), scanning electron microscopy (SEM), and optical metallography. The results proved the…

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