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We propose a possible route to achieve high thermoelectric efficiency in molecular junctions by combining a local chemical tuning of the molecular electronic states with the use of semiconducting electrodes. The former allows to control the…

Materials Science · Physics 2009-08-05 D. Nozaki , H. Sevinçli , W. Li , R. Gutierrez , G. Cuniberti

We report an investigation of temperature- and doping-dependent thermoelectric behaviors of topological semimetal Cd3As2. The electrical conductivity, thermal conductivity, Seebeck coefficient, and figure of merit (ZT) are calculated by…

Materials Science · Physics 2016-11-22 Tong Zhou , Cheng Zhang , Huisheng Zhang , Faxian Xiu , Zhongqin Yang

It was recently suggested that molecular junctions would be excellent elements for efficient and high-power thermoelectric energy conversion devices. However, experimental measurements of thermoelectric conversion in molecular junctions…

Mesoscale and Nanoscale Physics · Physics 2015-06-09 Elinor Zerah-Harush , Yonatan Dubi

The conventional thermoelectric figure of merit and the power factor are not sufficient as a measure of thin film quality of thermoelectric materials, where the power conversion efficiency depends on the film dimensions. By considering the…

Applied Physics · Physics 2022-07-19 Kazuhiko Seki , Masakazu Mukaida , Qingshuo Wei , Takao Ishida

Thermoelectric phenomena are traditionally associated with the interconversion of thermal and electrical energy in many-body systems. In the context of high-temperature quantum chromodynamics (QCD) matter produced in relativistic heavy-ion…

High Energy Physics - Phenomenology · Physics 2025-12-09 Kamaljeet Singh , Raghunath Sahoo

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

The electronic thermoelectric coefficients are analyzed in the vicinity of one and two Anderson localization thresholds in three dimensions. For a single mobility edge, we correct and extend previous studies, and find universal approximants…

Disordered Systems and Neural Networks · Physics 2017-10-09 Kaoru Yamamoto , Amnon Aharony , Ora Entin-Wohlman , Naomichi Hatano

We propose a near-field inelastic thermoelectric heat engine where quantum-dots are used to effectively rectify the charge flow of photo-carriers. The device converts near-field heat radiation into useful electrical power. Heat absorption…

Mesoscale and Nanoscale Physics · Physics 2018-03-28 Jian-Hua Jiang , Yoseph Imry

To increase the performance of thermoelectric materials, the electronic parameters in the figure of merit must be improved. In this paper, we use full, numerical band structures and solve the Boltzmann equation in the relaxation time…

Materials Science · Physics 2018-12-17 Evan Witkoske , Xufeng Wang , Jesse Maassen , Mark Lundstrom

Within the framework of nonequilibrium Green's functions, we investigate the thermoelectric transport in a single molecular junction with electron-phonon and electron-electron interactions. By transforming into a displaced phonon basis, we…

Mesoscale and Nanoscale Physics · Physics 2012-04-26 Jie Ren , Jian-Xin Zhu , James E. Gubernatis , Chen Wang , Baowen Li

We theoretically investigate tunneling magnetoresistance (TMR) devices, which are probing the spin-momentum coupled nature of surface states of the three-dimensional topological insulator Bi$_{2}$Se$_{3}$. Theoretical calculations are…

Mesoscale and Nanoscale Physics · Physics 2015-01-29 Matthias Götte , Tomi Paananen , Günter Reiss , Thomas Dahm

This article reviews recent advances in low-temperature electronic thermal transport properties of thermally biased superconductor heterostructures focusing on the two-terminal transport. Since the last decade, ferromagnetism has been…

Superconductivity · Physics 2025-04-01 Paramita Dutta

Here we present a theoretical study of the thermoelectric transport through {[}2,2{]}para\-cyclo\-phane-based single-molecule junctions. Combining electronic and vibrational structures, obtained from density functional theory (DFT), with…

Mesoscale and Nanoscale Physics · Physics 2017-04-07 Marius Bürkle , Thomas J. Hellmuth , Fabian Pauly , Yoshihiro Asai

Motivated by recent experiments, we present here an ab initio study of the impact of the phonon transport on the thermal conductance and thermoelectric figure of merit of C$_{60}$-based single-molecule junctions. To be precise, we combine…

Mesoscale and Nanoscale Physics · Physics 2017-08-22 Jan Christopher Klöckner , Robert Siebler , Juan Carlos Cuevas , Fabian Pauly

Reduced dimensionality has long been regarded as an important strategy for increasing thermoelectric performance, for example in superlattices and other engineered structures. Here we point out and illustrate by examples that three…

Materials Science · Physics 2015-06-12 David Parker , Xin Chen , David J. Singh

We report about detailed dimensionless figure of merit ($ZT$) calculated by using Fermi integral method (compared with Bi$_2$Te$_3$, CoSb$_3$, and SrTiO$_3$) for thermoelectric (TE) materials' design and its module application.…

Materials Science · Physics 2020-03-05 Hirofumi Kakemoto

The paper introduces and analyzes a new characteristic of thermoelectric composites - their intrinsic figure of merit characterizing the influence of thermoelectric phenomena on the effective properties of composites and governing thermal…

Materials Science · Physics 2007-05-23 A. A Snarskii , G. V. Adzhigai , I. V. Bezsudnov

The electron transport through a three-terminal single-molecular transistor (SMT) is theoretically studied. We find that the differential conductance of the third and weakly coupled terminal versus its voltage matches well with the spectral…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Juntao Song , Qing-feng Sun , Jinhua Gao , X. C. Xie

The thermoelectric efficiency of semiconductors is usually considered in the ohmic electronic transport regime, which is achieved through high doping. Here we consider the opposite regime of low doping where the current-voltage…

Materials Science · Physics 2012-10-01 François Léonard

The hybrid halide perovskites, the very performant compounds in photovoltaic applications, possess large Seebeck coefficient and low thermal conductivity making them potentially interesting high figure of merit ($ZT$) materials. For this…