Thermal conductance in graphene nanoribbons modulated by defects and alternating boron-nitride structures

被引：15

作者：

Peng, Xiao-Fang ^{[1
]}

Zhou, Xin ^{[1
]}

Tan, Shi-Hua ^{[1
]}

Wang, Xin-Jun ^{[1
]}

Chen, Li-Qun ^{[1
]}

Chen, Ke-Qiu ^{[2
]}

机构：

[1] Cent South Univ Forestry & Technol, Inst Math & Phys, Changsha 410004, Hunan, Peoples R China

[2] Hunan Univ, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China

来源：

CARBON | 2017年 / 113卷

基金：

中国国家自然科学基金;

关键词：

TRANSPORT;

D O I：

10.1016/j.carbon.2016.11.066

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The thermal transport properties of phonons in zigzag graphene nanoribbon (ZGNR) modulated by defect and alternating boron-nitride structure (BNS) are studied by nonequilibrium Greens function (NEGF) formalism combined with first-principles calculations of density-functional theory with local density approximation. Our calculations show that the thermal conductance in ZGNR with BNS is higher than that in ZGNR with cavity. The grouping between defect and BNS can induce high frequency phonon blocking effect, and the blocking effect depends on the structure parameter of defect and BNS. The grouping can modulate the transmission rate of phonons and thermal conductance on a large scale. A brief analysis of these results is given. (C) 2016 Elsevier Ltd. All rights reserved.

引用

页码：334 / 339

页数：6

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