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Some of the most promising candidates for next generation thermoelectrics are nanocomposites due to their low thermal conductivities that result from phonon scattering on the boundaries of the various material phases. However, in order to…

Materials Science · Physics 2019-03-04 Samuel Foster , Mischa Thesberg , Neophytos Neophytou

We investigate the electric and thermoelectric transport coefficients of nanocomposites using the Non-Equilibrium Greens Function (NEGF) method, which can accurately capture the details of geometry and disorder in these structures. We…

Mesoscale and Nanoscale Physics · Physics 2018-10-17 Vassilios Vargiamidis , Samuel Foster , Neophytos Neophytou

Bipolar carrier transport is often a limiting factor in the thermoelectric efficiency of narrow bandgap materials (such as Bi2Te3 and PbTe) at high temperatures due to the introduction of an additional term to the thermal conductivity and a…

Materials Science · Physics 2019-04-12 Samuel Foster , Neophytos Neophytou

We overview nonequilibrium Green function combined with density functional theory (NEGF-DFT) modeling of independent electron and phonon transport in nanojunctions with applications focused on a new class of thermoelectric devices where a…

Mesoscale and Nanoscale Physics · Physics 2012-04-19 Branislav K. Nikolic , Kamal K. Saha , Troels Markussen , Kristian S. Thygesen

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,…

The thermoelectric power factor of hierarchically nanostructured materials is investigated using the nonequilibrium Greens function method for quantum transport, including interactions of electrons with acoustic and optical phonons. We…

Mesoscale and Nanoscale Physics · Physics 2019-01-30 Vassilios Vargiamidis , Neophytos Neophytou

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

Nanostructured materials and nanocomposites have shown great promise for improving the efficiency of thermoelectric materials. Herein, Fe nanoparticles were imbedded into a CrN matrix by combining two physical vapor deposition approaches,…

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…

Materials Science · Physics 2021-10-27 S. Aria Hosseini , Devin Coleman , Sabah Bux , P. Alex Greaney , Lorenzo Mangolini

Introducing hierarchical disorder from multiple defects into materials through nanostructuring is one of the most promising directions to achieve extremely low thermal conductivities and thus improve thermoelectric performance. The success…

Materials Science · Physics 2019-09-16 Laura de Sousa Oliveira , Vassilios Vargiamidis , Neophytos Neophytou

Electron energy filtering has been suggested as a promising way to improve the power factor and enhance the ZT figure of merit of thermoelectric materials. In this work we explore the effect that reduced dimensionality has on the success of…

Mesoscale and Nanoscale Physics · Physics 2017-01-11 Mischa Thesberg , Hans Kosina , Neophytos Neophytou

Achieving low thermal conductivity and good electrical properties is a crucial condition for thermal energy harvesting materials. Nanostructuring offers a very powerful tool to address both requirements: in nanostructured materials,…

Mesoscale and Nanoscale Physics · Physics 2018-09-14 Giuseppe Romano , Jesús Carrete , Alexie M. Kolpak , David Broido

Low dimensional structures have demonstrated improved thermoelectric (TE) performance because of a drastic reduction in their thermal conductivity, {\kappa}l. This has been observed for a variety of materials, even for traditionally poor…

Materials Science · Physics 2012-01-31 Neophytos Neophytou , Hans Kosina

Designing thermoelectric materials with high figure of merit $ZT=S^2 G T/\kappa$ requires fulfilling three often irreconcilable conditions, i.e., the high electrical conductance $G$, small thermal conductance $\kappa$ and high Seebeck…

Mesoscale and Nanoscale Physics · Physics 2014-07-11 Po-Hao Chang , Mohammad Saeed Bahramy , Naoto Nagaosa , Branislav K. Nikolic

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

Thermal engineering of quantum devices has attracted much attention since the discovery of quantized thermal conductance of phonons. Although easily submerged in numerous excitations in macro-systems, quantum behaviors of phonons manifest…

Materials Science · Physics 2020-10-02 Xiaobin Chen , Yizhou Liu , Wenhui Duan

The coherent quantum effect becomes increasingly important in the heat dissipation bottleneck of semiconductor nanoelectronics with the characteristic size shrinking down to few nano-meters scale nowadays. However, the quantum mechanical…

Mesoscale and Nanoscale Physics · Physics 2020-11-18 Yangyu Guo , Marc Bescond , Zhongwei Zhang , Mathieu Luisier , Masahiro Nomura , Sebastian Volz

Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…

Materials Science · Physics 2015-06-30 Thomas Lehmann , Dmitry A. Ryndyk , Gianaurelio Cuniberti

The thermoelectric properties of hybrid graphene-boron nitride nanoribbons (BCNNRs) are investigated using the non-equilibrium Green's function (NEGF) approach. We find that the thermoelectric figure of merit (ZT) can be remarkably enhanced…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Kaike Yang , Yuanping Chen , Roberto D'Agosta , Yuee Xie , Jianxin Zhong , Angel Rubio

The addition of porosity to thermoelectric materials can significantly increase the figure of merit, ZT, by reducing the thermal conductivity. Unfortunately, porosity is also detrimental to the thermoelectric power factor in the numerator…

Mesoscale and Nanoscale Physics · Physics 2021-03-29 S. Aria Hosseini , Giuseppe Romano , P. Alex Greaney
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