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First-principles determination of high thermal conductivity of PCF-graphene: A comparison with graphene

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成果类型:
期刊论文
作者:
Chen, Xue-Kun;Hu, Xiao-Yan;Jia, Pin-Zhen;Xie, Guo-Feng
通讯作者:
Jia, Pin-Zhen(pinzhenjia@hnu.edu.cn);Xie, Guo-Feng(gfxie@xtu.edu.cn)
作者机构:
[Chen, Xue-Kun; Hu, Xiao-Yan] Univ South China, Sch Math & Phys, Hengyang 421001, Peoples R China.
[Jia, Pin-Zhen] Hunan Inst Technol, Dept Math & Phys, Hengyang 421002, Peoples R China.
[Xie, Guo-Feng] Hunan Univ Sci & Technol, Sch Mat Sci & Engn, Xiangtan 411201, Peoples R China.
[Xie, Guo-Feng] Hunan Univ Sci & Technol, Hunan Prov Key Lab Adv Mat New Energy Storage & C, Xiangtan 411201, Peoples R China.
通讯机构:
[Pin-Zhen Jia] D
[Guo-Feng Xie] S
School of Materials Science and Engineering & Hunan Provincial Key Laboratory of Advanced Materials for New Energy Storage and Conversion, Hunan University of Science and Technology , Xiangtan 411201, China<&wdkj&>Department of Mathematics and Physics, Hunan Institute of Technology , Hengyang 421002, China
语种:
英文
期刊:
Applied Physics Letters
ISSN:
0003-6951
年:
2022
卷:
121
期:
18
页码:
182205
基金类别:
This work was supported by the National Natural Science Foundation of China (Nos. 11904161 and 11874145), by the Scientific Research Fund of Hunan Provincial Education Department (No. 21B0401). The computational work was supported by the HPC Center of University of South China.
机构署名:
本校为第一机构
院系归属:
数理学院
摘要:
Poly-cyclooctatetraene framework (PCF)-graphene, an emerging all-sp2 hybridized two-dimensional (2D) carbon allotrope, possesses an intrinsic direct bandgap (0.77 eV) and excellent mechanical properties, indicating great potential in nanoelectronics. Understanding the thermal transport behavior of PCF-graphene is of vital importance for determining the reliability of related devices based on it. In this work, the thermal transport in PCF-graphene is systematically studied using the Boltzmann transport theory combined with first-principles calcu...

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