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Thermal Transport in Graphene Nanomesh: Unraveling the Role of Brillouin Zone Folding, Phonon Localization and Phonon Confinement
Cui, Liu1; Wei, Gaosheng1; Li, Zhao1; Du, Xiaoze1,2
2021-02
发表期刊INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
ISSN0017-9310
卷号165页码:-
摘要Coherent thermal transport has recently become a subject of considerable interest, but whether some intriguing phenomena of phonon coherence (including Brillouin zone folding, phonon localization, and phonon confinement) occur in certain nanostructures remains unclear. We have investigated the thermal transport in graphene nanomesh using molecular dynamics simulations together with first-principles calculations. It is found that the thermal conductivity of nanomesh is significantly reduced compared with graphene, mainly due to the bandgaps, flattened phonon dispersions and reduced phonon group velocities induced by Brillouin zone folding. Meanwhile, the significant decrease in thermal conductivity is induced by phonon localization. Phonon confinement caused by reflecting the optical phonon modes back into the C-H part further leads to the reduction of thermal conductivity. We highlight the coherent mechanism for lowering thermal conductivity, which is useful for manipulating heat conduction for thermoelectrics and thermal insulation applications. (C) 2020 Elsevier Ltd. All rights reserved.
关键词Calculations Graphene Heat conduction Molecular dynamics Phonons Thermal insulation First-principles calculation Insulation applications Molecular dynamics simulations Optical phonon modes Phonon confinement Phonon dispersions Phonon localization Reduction of thermal conductivity
DOI10.1016/j.ijheatmasstransfer.2020.120685
收录类别EI ; SCOPUS ; SCIE
语种英语
WOS研究方向Thermodynamics ; Engineering ; Mechanics
WOS类目Thermodynamics ; Engineering, Mechanical ; Mechanics
WOS记录号WOS:000596069900058
出版者Elsevier Ltd
EI入藏号20204609491217
EI主题词Thermal conductivity
EI分类号413.2 Heat Insulating Materials - 641.1 Thermodynamics - 641.2 Heat Transfer - 761 Nanotechnology - 801.4 Physical Chemistry - 804 Chemical Products Generally - 921 Mathematics
来源库WOS
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被引频次:15[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符https://ir.lut.edu.cn/handle/2XXMBERH/147312
专题兰州理工大学
通讯作者Cui, Liu; Du, Xiaoze
作者单位1.North China Elect Power Univ, Sch Energy Power & Mech Engn, Key Lab Power Stn Energy Transfer Convers & Syst, Minist Educ, Beijing 102206, Peoples R China;
2.Lanzhou Univ Technol, Sch Energy & Power Engn, Lanzhou 730050, Peoples R China
通讯作者单位能源与动力工程学院
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Cui, Liu,Wei, Gaosheng,Li, Zhao,et al. Thermal Transport in Graphene Nanomesh: Unraveling the Role of Brillouin Zone Folding, Phonon Localization and Phonon Confinement[J]. INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER,2021,165:-.
APA Cui, Liu,Wei, Gaosheng,Li, Zhao,&Du, Xiaoze.(2021).Thermal Transport in Graphene Nanomesh: Unraveling the Role of Brillouin Zone Folding, Phonon Localization and Phonon Confinement.INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER,165,-.
MLA Cui, Liu,et al."Thermal Transport in Graphene Nanomesh: Unraveling the Role of Brillouin Zone Folding, Phonon Localization and Phonon Confinement".INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER 165(2021):-.
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