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A numerical study of thermoelectric nanocomposites is presented. Thermoelectric properties as a function of average grain size or nanoparticle density are examined by simulating the measurements as they would be done experimentally. In…

Materials Science · Physics 2020-01-08 Xufeng Wang , Mark Lundstrom

We study the thermopower of a junction between a metal and a strongly correlated semiconductor. Both in the electronic ferroelectric regime and in the Kondo insulator regime the thermoelectric figures of merit, ZT, of these junctions are…

Strongly Correlated Electrons · Physics 2009-07-20 Massimo Rontani , L. J. Sham

Using first-principles approaches, this study investigated the efficiency of energy conversion in nanojunctions, described by the thermoelectric figure of merit $ZT$. We obtained the qualitative and quantitative descriptions for the…

Mesoscale and Nanoscale Physics · Physics 2011-06-09 Yu-Shen Liu , Yi-Ren Chen , Yu-Chang Chen

The electronic and thermoelectric properties of molecular junctions formed from iron and ruthenium metal-acetylide were studied using complementary experimental techniques and quantum chemical simulations. We performed physical…

In this work we present a detailed study and derivation of the thermopower and thermoelectric coefficient of nano-granular metals at large tunneling conductance between the grains, g_T>> 1. An important criterion for the performance of a…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Andreas Glatz , I. S. Beloborodov

Using first-principles approaches, we have investigated the thermoelectric properties and the energy conversion efficiency of the paired metal-Br-Al junction. Owing to the narrow states in the vicinity of the chemical potential, the…

Mesoscale and Nanoscale Physics · Physics 2011-01-21 Yu-Shen Liu , Hsuan-Te Yao , Yu-Chang Chen

We propose a junction of metal and rare-earth compound semiconductor as the basis for a possible efficient low-temperature thermoelectric device. If an overlayer of rare earth atoms differing from the bulk is placed at the interface, very…

Strongly Correlated Electrons · Physics 2009-10-31 Massimo Rontani , L. J. Sham

The recent discovery of topological insulator (TI) offers new opportunities for the development of thermoelectrics, because many TIs (like Bi$_2$Te$_3$) are excellent thermoelectric (TE) materials. In this review, we will first describe the…

Materials Science · Physics 2016-10-26 Yong Xu

Low dimensional materials provide the possibility of improved thermoelectric performance due to the additional length scale degree of freedom for engineering their electronic and thermal properties. As a result of suppressed phonon…

Mesoscale and Nanoscale Physics · Physics 2010-06-23 Neophytos Neophytou , Martin Wagner , Hans Kosina , Siegfried Selberherr

Thermoelectrics (TE) materials manifest themselves in direct conversion of temperature differences to electric power and vice versa. Despite remarkable advances have been achieved in the past decades for various TE systems, the energy…

Materials Science · Physics 2017-07-11 Yanguang Zhou , Xiaojing Gong , Ben Xu , Ming Hu

Based on the concept of band bending at metal/semiconductor interfaces as an energy filter for electrons, we present a theory for the enhancement of the thermoelectric properties of semiconductor materials with metallic nanoinclusions. We…

Materials Science · Physics 2008-07-03 Sergey V. Faleev , François Léonard

Thermoelectric materials intrigue much interest due to their wide range of application such as power generators and refrigerators. The efficiency of thermoelectric materials is quantified by the figure of merit, and a figure greater than…

Mesoscale and Nanoscale Physics · Physics 2022-02-16 Masashi Hosoi , Ikuma Tateishi , Hiroyasu Matsuura , Masao Ogata

Novel organic materials formed from functional molecules are attractive for various nanoelectronic applications because they are environmentally friendly, widely available and inexpensive. Recent advancement in bottom-up fabrication methods…

Mesoscale and Nanoscale Physics · Physics 2022-12-14 Abdalghani Daaoub , Renhang Wang , Ross Davidson , Sara Sangtarash , Hatef Sadeghi

We report a combined experimental (C-AFM and SThM) and theoretical (DFT) study of the thermoelectric properties of molecular junctions made of self-assembled monolayers on Au of thiolated benzothieno-benzothiophene (BTBT) and alkylated BTBT…

Mesoscale and Nanoscale Physics · Physics 2024-11-13 Sergio Gonzalez-Casal , Rémy Jouclas , Imane Arbouch , Yves Geerts , Colin van Dyck , Jérôme Cornil , Dominique Vuillaume

Thermoelectrical properties are frequently used to characterize the materials and endow the free energy from wasted heat for useful purposes. Here, we show that linear thermoelectric effects in tunnel junctions with Fe-based…

Superconductivity · Physics 2023-10-02 Claudio Guarcello , Alessandro Braggio , Francesco Giazotto , Roberta Citro

Molecular junctions comprise small molecules on the order of one or a few nanometers in length, chemically attached to two electrodes of metal or semiconductors. They have recently been identified as promising candidates for…

Mesoscale and Nanoscale Physics · Physics 2021-11-12 Andrea Gemma , Bernd Gotsmann

The effect of interface scattering on the performance of disordered, nanocomposite thermoelectric materials is studied theoretically using effective medium theory and direct numerics. The interfacial electronic and phonon scattering…

Mesoscale and Nanoscale Physics · Physics 2012-02-24 Paul M. Haney

The field of thermoelectric materials has undergone a revolutionary transformation over the last couple of decades as a result of the ability to nanostructure and synthesize myriads of materials and their alloys. The ZT figure of merit,…

We investigate the thermoelectric performance of 2D nanojunctions with gate tunable architectures and varying channel lengths from 3 to 12 nm using a combination of first principles simulations, including density functional theory, DFT with…

Mesoscale and Nanoscale Physics · Physics 2025-10-09 Yu-Chang Chen , Yu-Chen Chang

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
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