Highly efficient thermal rectification in carbon/boron nitride heteronanotubes

被引:50
作者
Chen, Xue-Kun [1 ]
Xie, Zhong-Xiang [2 ]
Zhang, Yong [2 ]
Deng, Yuan-Xiang [2 ]
Zou, Tong-Hua [2 ]
Liu, Jun [3 ]
Chen, Ke-Qiu [4 ]
机构
[1] Univ South China, Sch Math & Phys, Hengyang 421001, Peoples R China
[2] Hunan Inst Technol, Dept Math & Phys, Hengyang 421002, Peoples R China
[3] Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Peoples R China
[4] Hunan Univ, Sch Phys & Elect, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China
基金
中国国家自然科学基金;
关键词
TRANSPORT; HETEROJUNCTIONS; NANOTUBES; GRAPHENE;
D O I
10.1016/j.carbon.2019.03.073
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
Carbon/boron nitride heteronanotubes (CBNNTs) have attracted considerable attention owing to their unique properties and functions for practical applications in many fields. However, interfacial thermal transport in such heterostructures, which plays a pivotal role in determining their functional properties, is still unknown. In this work, we use non-equilibrium molecular dynamics (NEMD) simulations to study the thermal transport across CBNNTs interface. It is found that the heat flows preferentially from the BNNTs to the CNTs region, demonstrating pronounced thermal rectification (TR) effect. In addition, the TR ratio of zigzag CBNNTs is much more than that of armchair ones, especially under lager temperature bias. With the help of wave packet dynamics simulation and power spectrum calculation, the underlying mechanism of TR in CBNNTs is identified. Furthermore, the influence of system size, ambient temperature and defect density is studied to obtain the optimum conditions for TR. More importantly, we also found that the TR ratio of CBNNTs apparently decreases when taking account of the substrate interaction or tensile strain in practical design for thermal rectifier. Our results provide a certain guidance for designing high-efficiency thermal rectifier based CBNNTs. (C) 2019 Elsevier Ltd. All rights reserved.
引用
收藏
页码:532 / 539
页数:8
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