Two-dimensional layered MSi2N4 (M = Mo, W) as promising thermal management materials: a comparative study

doi:10.1039/d1cp03941e

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	Two-dimensional layered MSi2N4 (M = Mo, W) as promising thermal management materials: a comparative study
	Shen, Chen 3; Wang, Lei 1,4; Wei, Donghai 2; Zhang, Yixuan 3; Qin, Guangzhao 2; Chen, Xing-Qiu 1,4; Zhang, Hongbin 3
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2021-12-16
页码	8
ISSN号	1463-9076
DOI	10.1039/d1cp03941e
通讯作者	Qin, Guangzhao() ; Chen, Xing-Qiu() ; Zhang, Hongbin()
英文摘要	With the miniaturization and integration of nanoelectronic devices, efficient heat removal becomes a key factor affecting their reliable operation. Two-dimensional (2D) materials, with high intrinsic thermal conductivity, good mechanical flexibility, and precisely controllable growth, are widely accepted as ideal candidates for thermal management materials. In this work, by solving the phonon Boltzmann transport equation (BTE) based on first-principles calculations, we investigated the thermal conductivity of novel 2D layered MSi2N4 (M = Mo, W). Our results point to a competitive thermal conductivity as large as 162 W m(-1) K-1 of monolayer MoSi2N4, which is around two times larger than that of WSi2N4 and seven times larger than that of monolayer MoS2 despite their similar non-planar structures. It is revealed that the high thermal conductivity arises mainly from its large group velocity and low anharmonicity. Our result suggests that MoSi2N4 could be a potential candidate for 2D thermal management materials.
资助项目	National Science Fund for Distinguished Young Scholars[51725103] ; Fundamental Research Funds for the Central Universities[531118010471] ; National Natural Science Foundation of China[52006057] ; Changsha Municipal Natural Science Foundation[kq2014034] ; TU Darmstadt
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000743624600001
资助机构	National Science Fund for Distinguished Young Scholars ; Fundamental Research Funds for the Central Universities ; National Natural Science Foundation of China ; Changsha Municipal Natural Science Foundation ; TU Darmstadt
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/173750]
专题	金属研究所_中国科学院金属研究所
通讯作者	Qin, Guangzhao; Chen, Xing-Qiu; Zhang, Hongbin
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Hunan Univ, Coll Mech & Vehicle Engn, State Key Lab Adv Design & Mfg Vehicle Body, Changsha 410082, Hunan, Peoples R China 3.Tech Univ Darmstadt, Inst Mat Wissench, D-64287 Darmstadt, Germany 4.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Shen, Chen,Wang, Lei,Wei, Donghai,et al. Two-dimensional layered MSi2N4 (M = Mo, W) as promising thermal management materials: a comparative study[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2021:8.
APA	Shen, Chen.,Wang, Lei.,Wei, Donghai.,Zhang, Yixuan.,Qin, Guangzhao.,...&Zhang, Hongbin.(2021).Two-dimensional layered MSi2N4 (M = Mo, W) as promising thermal management materials: a comparative study.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,8.
MLA	Shen, Chen,et al."Two-dimensional layered MSi2N4 (M = Mo, W) as promising thermal management materials: a comparative study".PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021):8.