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The thermodynamic and kinetic properties of hydrogen adatoms on graphene are important to the materials and devices based on hydrogenated graphene. Hydrogen dimers on graphene with coverages varying from 0.040 to 0.111 ML (1.0 ML $=…

Materials Science · Physics 2011-11-10 Liang Feng Huang , Mei Yan Ni , Yong Gang li , Wang Huai Zhou , Xiao Hong Zheng , Ling Ju Guo , Zhi Zeng

As a new carbon allotrope, the recently fabricated graphdiyne has attracted much attention due to its interesting two-dimensional character. Here we demonstrate by multiscale computations that, unlike graphene, graphdiyne has a natural band…

Mesoscale and Nanoscale Physics · Physics 2015-04-30 L. Sun , P. H. Jiang , H. J. Liu , D. D. Fan , J. H. Liang , J. Wei , L. Cheng , J. Zhang , J. Shi

Prior ultralow thermal conductivity materials are not suitable for thermoelectric applications due to the limited electronic transport in the materials. Here, we present a new class of ultralow thermal conductivity materials with…

Materials Science · Physics 2018-06-27 Bin Huang , Weidong Zheng , Yee Kan Koh

Using first-principles modeling, we investigate how phonon transport evolves in layered/van der Waals materials when going from 3D to 2D, or vice versa, by gradually pulling apart the atomic layers in graphite to form graphene. Focus is…

Mesoscale and Nanoscale Physics · Physics 2021-08-04 Patrick Strongman , Jesse Maassen

We investigated thermal conductivity of free-standing reduced graphene oxide films subjected to a high-temperature treatment of up to 1000 C. It was found that the high-temperature annealing dramatically increased the in-plane thermal…

We describe Raman spectroscopy based method of measuring thermal conductivity of thin films, and review significant results achieved with this technique pertinent to graphene and other two-dimensional materials. The optothermal Raman method…

Mesoscale and Nanoscale Physics · Physics 2019-03-18 Hoda Malekpour , Alexander A. Balandin

Graphene has drawn wide attention due to its exceptional thermal conductivity but complete understanding of thermal characteristics of polycrystalline graphene is still elusive to date. For the first time, herein, we have systematically…

Materials Science · Physics 2013-04-26 Young I. Jhon , Myung S. Jhon

Thermal properties of graphene monolayers are studied by path-integral molecular dynamics (PIMD) simulations, which take into account the quantization of vibrational modes in the crystalline membrane, and allow one to consider anharmonic…

Materials Science · Physics 2017-09-18 Carlos P. Herrero , Rafael Ramirez

Penta-graphene (PG) has been identified as a novel 2D material with an intrinsic bandgap, which makes it especially promising for electronics applications. In this work, we use first-principles lattice dynamics and iterative solution of the…

Materials Science · Physics 2016-06-29 Xufei Wu , Vikas Varshney , Jonghoon Lee , Teng Zhang , Jennifer L. Wohlwend , Ajit K. Roy , Tengfei Luo

Temperature-dependent resistivity of graphene grown by chemical vapor deposition (CVD) is investigated. We observe in low mobility CVD graphene device a strong insulating behavior at low temperatures and a metallic behavior at high…

Mesoscale and Nanoscale Physics · Physics 2011-08-16 J. Heo , H. J. Chung , Sung-Hoon Lee , H. Yang , D. H. Seo , J. K. Shin , U-In Chung , S. Seo , E. H. Hwang , S. Das Sarma

The thermal conductivity of doped graphene flake of finite size is investigated with emphasis on the influence of mass of substituting atoms on this property. It is shown that the graphene doping by small concentrations of relatively heavy…

Mesoscale and Nanoscale Physics · Physics 2012-09-26 Vadym Adamyan , Vladimir Zavalniuk

Using the linearized Boltzmann transport equation and perturbation theory, we analyze the reduction in the intrinsic thermal conductivity of few-layer graphene sheets accounting for all possible three-phonon scattering events. Even with…

Mesoscale and Nanoscale Physics · Physics 2015-05-28 Dhruv Singh , Jayathi Y. Murthy , Timothy S. Fisher

Mapping the thermal transport properties of materials at the nanoscale is of critical importance for optimizing heat conduction in nanoscale devices. Several methods to determine the thermal conductivity of materials have been developed,…

Mesoscale and Nanoscale Physics · Physics 2021-03-17 Oliver Braun , Roman Furrer , Pascal Butti , Kishan R. Thodkar , Ivan Shorubalko , Ilaria Zardo , Michel Calame , Mickael L. Perrin

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

Thermal rectifiers are devices that have different thermal conductivities in opposing directions of heat flow. The realization of practical thermal rectifiers relies significantly on a sound understanding of the underlying mechanisms of…

Materials Science · Physics 2023-12-22 Simanta Lahkar , Raghavan Ranganathan

Graphene decorated with 5d transitional metal atoms is predicted to exhibit many intriguing properties; for example iridium adatoms are proposed to induce a substantial topological gap in graphene. We extensively investigated the…

Mesoscale and Nanoscale Physics · Physics 2016-04-18 Yilin Wang , Shudong Xiao , Xinghan Cai , Wenzhong Bao , Janice Reutt-Robey , Michael S. Fuhrer

The lattice thermal conductivity and thermal transport properties of 2D $\alpha$-selenene are investigated based on the first-principles calculations. The isotropic in-plane thermal conductivity is as low as 3.04 W m$^{-1}$ K$^{-1}$ at room…

Computational Physics · Physics 2020-01-30 Gang Liu , Zhibin Gao , Guo-Ling Li , Hui Wang

We present systematic thermal conductivity measurements of suspended thin graphite ribbons, 234-527 nm thick, using a four-probe 3-omega method. Unlike recent reports of phonon hydrodynamics and exceptionally high thermal conductivity in…

Mesoscale and Nanoscale Physics · Physics 2025-09-16 Wonjae Jeon , Yu Pei , Xun Li , Lucas Lindsay , Sangyeop Lee , Renkun Chen

I present a concise account concerning the emergence of a research field, which deals with the thermal properties of graphene, covering the refinement of understanding of phonon transport in two-dimensional material systems. The practical…

Mesoscale and Nanoscale Physics · Physics 2022-03-01 Alexander A. Balandin

Two-dimensional materials, such as graphene, boron nitride and transition metal dichalcogenides, have attracted increased interest due to their potential applications in electronics and optoelectronics. Thermal transport in two-dimensional…

Materials Science · Physics 2017-03-07 Xiaokun Gu , Ronggui Yang