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In this work, we present a comprehensive investigation of graphene's thermal conductivity using first-principles density functional perturbation theory calculations, with a focus on the phonon and lattice vibrational properties underlying…

Materials Science · Physics 2024-12-25 Archishman Gupta , Ankit Arora

The effect of electron-phonon (e-ph) coupling on thermal transport across metal-nonmetal interfaces is yet to be completely understood. In this paper, we use a series of molecular dynamics (MD) simulations with e-ph coupling effect included…

Materials Science · Physics 2015-10-02 Xufei Wu , Tengfei Luo

Atomically thin two-dimensional materials such as graphene and hexagonal boron nitride have recently been found to exhibit appreciable permeability to thermal protons, making these materials emerging candidates for separation technologies…

Chemical Physics · Physics 2017-04-13 Igor Poltavsky , Limin Zheng , Majid Mortazavi , Alexandre Tkatchenko

Transient cooling phenomenon in two-dimensional materials is studied based on the phonon Boltzmann transport equation (BTE). Using a heating laser pulse to heat the two-dimensional disk geometry under the environment temperature, after the…

Mesoscale and Nanoscale Physics · Physics 2024-10-10 Chuang Zhang , Lei Wu

We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…

Mesoscale and Nanoscale Physics · Physics 2025-02-06 Gaëlle Bigeard , Zineb Kerrami , François Triozon , Alessandro Cresti

Two-dimensional (2D) materials have attracted significant interest due to their tunable physical properties when stacked into homo- and hetero-structures. Twisting adjacent layers introduces moir\'{e} patterns that strongly influence the…

In the 2016 experiment by Crossno et al. [Science 351, 1058 (2016)], electronic contribution to the thermal conductivity of graphene was found to violate the well-known Wiedemann-Franz (WF) law for metals. At liquid nitrogen temperatures,…

Mesoscale and Nanoscale Physics · Physics 2021-05-24 Adam Rycerz

Two-dimensional (2-D) transition metal dichalcogenides (TMDs) have shown numerous interesting physical and chemical properties, making them promising materials for electronic, optoelectronic, and energy applications. Tuning thermal…

Materials Science · Physics 2016-09-07 Xiaokun Gu , Ronggui Yang

Two-dimensional (2D) materials represented by graphene stand out in future electrical industry and have been widely studied. As a commonly existing factor in electronic devices, the electric field has been extensively utilized to modulate…

Computational Physics · Physics 2022-08-17 E Zhou , Donghai Wei , Jing Wu , Guangzhao Qin , Ming Hu

Heat transport by acoustic phonons in 2D materials is fundamentally different from that in 3D crystals because the out-of-plane phonons propagate in a unique way that strongly depends on tension and bending rigidity. Since in-plane and…

Mesoscale and Nanoscale Physics · Physics 2022-04-15 H. Liu , M. Lee , M. Šiškins , H. S. J. van der Zant , P. G. Steeneken , G. J. Verbiest

Graphene, in addition to its unique electronic and optical properties, revealed unusually high thermal conductivity. The fact that thermal conductivity of large enough graphene sheets should be higher than that of basal planes of bulk…

Interfaces play an essential role in phonon-mediated heat conduction in solids, impacting applications ranging from thermoelectric waste heat recovery to heat dissipation in electronics. From a microscopic perspective, interfacial phonon…

Mesoscale and Nanoscale Physics · Physics 2015-09-28 Chengyun Hua , Xiangwen Chen , Navaneetha K. Ravichandran , Austin J. Minnich

We extract experimentally the electronic thermal conductivity, $K_{e}$, in suspended graphene which we dope using a back-gate electrode. We make use of two-point dc electron transport at low bias voltages and intermediate temperatures (50 -…

Mesoscale and Nanoscale Physics · Physics 2014-01-15 S. Yigen , A. R. Champagne

We adapt existing phonon heat transport methods to compute the phononic thermal conductance of metallic atomic contacts during a stretching process. Nonequilibrium molecular dynamics (NEMD) simulations are used to generate atomic…

Mesoscale and Nanoscale Physics · Physics 2019-10-08 D. O. Möhrle , F. Müller , M. Matt , P. Nielaba , F. Pauly

Most materials in available macroscopic quantities are polycrystalline. Graphene, a recently discovered two-dimensional form of carbon with strong potential for replacing silicon in future electronics, is no exception. There is growing…

Mesoscale and Nanoscale Physics · Physics 2010-09-28 Oleg V. Yazyev , Steven G. Louie

Two-dimensional (2D) materials are a new class of materials with interesting physical properties and applications ranging from nanoelectronics to sensing and photonics. In addition to graphene, the most studied 2D material, monolayers of…

Materials Science · Physics 2022-04-12 Lianhua Zhang , Jian Chen , Fei Liu , Zhengyang Du , Yilun Jiang , Min Han

We propose a system where coherent thermal transport between two reservoirs in non-galvanic contact is modulated by independently tuning the electron-photon and the electron-phonon coupling. The scheme is based on two gate-controlled…

Mesoscale and Nanoscale Physics · Physics 2017-08-18 Federico Paolucci , Giuliano Timossi , Paolo Solinas , Francesco Giazotto

We calculate the thermal conductivity of interacting electrons in disordered metals. In our analysis we point out that the interaction affects thermal transport through two distinct mechanims, associated with quantum interference…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Roberto Raimondi , Giorgio Savona , Peter Schwab , Thomas Lueck

The electronic thermal conductivity of graphene and 2D Dirac materials is of fundamental interest and can play an important role in the performance of nano-scale devices. We report the electronic thermal conductivity, $K_{e}$, in suspended…

Mesoscale and Nanoscale Physics · Physics 2013-07-01 S. Yiğen , V. Tayari , J. O. Island , J. M. Porter , A. R. Champagne

A dramatic difference between the vertical thermal conductance response of homogeneous and heterogeneous graphene/h-BN interfaces to external mechanical perturbations, is predicted. Homogeneous graphene and h-BN interfaces exhibit strong…

Mesoscale and Nanoscale Physics · Physics 2026-04-30 Wenwu Jiang , Huasong Qin , Yilun Liu , Wengen Ouyang , Oded Hod , Michael Urbakh