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We present a theoretical study of electronic and thermal transport in polycrystalline heterostructures combining graphene (G) and hexagonal boron nitride (hBN) grains of varying size and distribution. By increasing the hBN grain density…

介观与纳米尺度物理 · 物理学 2025-06-06 J. E. Barrios Vargas , B. Mortazavi , A. W. Cummings , R. Martinez-Gordillo , M. Pruneda , L. Colombo , T. Rabczuk , S. Roche

As a critical way to modulate thermal transport in nanostructures, phonon resonance hybridization has become an issue of great concern in the field of phonon engineering. In this work, we optimized phonon transport across graphene…

介观与纳米尺度物理 · 物理学 2021-04-06 Xiao Wan , Dengke Ma , Dongkai Pan , Lina Yang , Nuo Yang

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…

材料科学 · 物理学 2019-03-04 Samuel Foster , Mischa Thesberg , Neophytos Neophytou

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…

材料科学 · 物理学 2020-01-08 Xufeng Wang , Mark Lundstrom

In this work, we investigate thermoelectric properties of junctions consisting of two partially overlapped graphene sheets coupled to each other in the cross-plane direction. It is shown that because of the weak van-der Waals interactions…

介观与纳米尺度物理 · 物理学 2014-10-07 V. Hung Nguyen , M. Chung Nguyen , Huy-Viet Nguyen , J. Saint-Martin , P. Dollfus

Significant progress has been made in recent studies of thermal and thermoelectric transport phenomena in nanostructures and low-dimensional systems. This article reviews several intriguing quantum and classical size effects on thermal and…

介观与纳米尺度物理 · 物理学 2014-08-04 Li Shi

Thermal conduction was explored and discussed through a combined theoretical and simulation approach in this work. The thermal conductivity k of polycrystalline graphene was calculated by molecular dynamics simulations based on a hexagonal…

材料科学 · 物理学 2014-06-05 Yanlei Wang , Zhigong Song , Zhiping Xu

The calculated electron mobility for a graphene nanoribbon as a function of applied electric field has been found to have a large threshold field for entering a nonlinear transport regime. This field depends on the lattice temperature,…

介观与纳米尺度物理 · 物理学 2015-05-27 Danhong Huang , Godfrey Gumbs , O. Roslyak

We combine density-functional theory and the nonequilibrium Green's function method to study the thermal conductance of graphene nanoribbons with armchair and zigzag edges. Zigzag ribbons have higher thermal conductance than armchair…

介观与纳米尺度物理 · 物理学 2011-08-05 Zhen Wah Tan , Jian-Sheng Wang , Chee Kwan Gan

Approach-to-equilibrium molecular dynamics simulations have been used to study thermal transport in nanocrystalline graphene sheets. Nanostructured graphene has been created using an iterative process for grain growth from initial seeds…

材料科学 · 物理学 2015-11-26 Konstanze R. Hahn , Claudio Melis , Luciano Colombo

Quantum thermal transport in armchair and zig-zag graphene nanoribbons are investigated in the presence of single atomic vacancies and subject to different boundary conditions. We start with a full comparison of the phonon polarizations and…

介观与纳米尺度物理 · 物理学 2014-07-24 P. Scuracchio , S. Costamagna , F. M. Peeters , A. Dobry

Nanocomposites are promising candidates for the next generation of thermoelectric materials since they exhibit extremely low thermal conductivities as a result of phonon scattering on the boundaries of the various material phases. The…

介观与纳米尺度物理 · 物理学 2017-12-06 Samuel Foster , Mischa Thesberg , Neophytos Neophytou

Thermoelectrics as a way to use waste heat, is essential in electronic industries, but its low performance at operational temperatures makes it inappropriate in practical applications. Tailoring graphene can change its properties. In this…

介观与纳米尺度物理 · 物理学 2022-10-25 M. Amir Bazrafshan , Farhad Khoeini

Boundary scattering in hierarchically disordered nanomaterials is an effective way to reduce the thermal conductivity of thermoelectric materials and increase their performance. In this work we investigate thermal transport in silicon based…

材料科学 · 物理学 2019-02-27 Dhritiman Chakraborty , Laura de Sousa Oliveira , Neophytos Neophytou

Recent works devoted to the synthesis of artificial molecular systems with quasi-fractal geometry provide new opportunities for the experimental study of electronic properties in atomic systems of fractional dimension. There has been a…

介观与纳米尺度物理 · 物理学 2021-12-30 R. T. Sibatov , Alireza Khalili Golmankhaneh , R. M. Meftakhutdinov , E. V. Morozova , D. A. Timkaeva

Nanoporous materials are a promising platform for thermoelectrics in that they offer high thermal conductivity tunability while preserving good electrical properties, a crucial requirement for high- effciency thermal energy conversion.…

材料科学 · 物理学 2017-09-20 Giuseppe Romano , Jeffrey C. Grossman

Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by a competition between charge and thermal transport. A…

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…

材料科学 · 物理学 2017-07-11 Yanguang Zhou , Xiaojing Gong , Ben Xu , Ming Hu

The thermal properties of graphitic ribbon are investigated based on Brenner's empirical potential. The reliability and usefulness of the empirical potential to address the thermal properties of covalent-bonded carbon nanostructures are…

材料科学 · 物理学 2009-11-10 Takahiro Yamamoto , Kazuaki Mii , Kazuyuki Watanabe

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…

介观与纳米尺度物理 · 物理学 2015-05-13 Andreas Glatz , I. S. Beloborodov