Quantifying the rigidity of 2D carbides (MXenes)

doi:10.1039/c9cp05412j

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	Quantifying the rigidity of 2D carbides (MXenes)
	Hu, Tao 2,3; Yang, Jinxing 3,4; Li, Wu 5; Wang, Xiaohui 3; Li, Chang Ming 1,2,6
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2020-01-28
卷号	22 期号:4 页码:2115-2121
ISSN号	1463-9076
DOI	10.1039/c9cp05412j
通讯作者	Wang, Xiaohui(wang@imr.ac.cn)
英文摘要	MXenes represent a family of surface-functionalized two-dimensional (2D) carbides and nitrides with potential applications in the field of flexible electronics, which rely on their elasticity and flexibility. However, the knowledge on such aspects is rather limited. Here, taking the four most typical MXenes, namely, Ti2CTx, Ti3C2Tx, Nb2CTx and Nb4C3Tx (T = O, OH and F) as examples, we evaluate their intrinsic in-plane stiffness and out-of-plane rigidity at the nanoscale with respect to their functional groups, chemical components and thickness by first-principles calculations. We find that both the in-plane stiffness (C) and out-of-plane bending rigidity (D) of MXenes are highly dependent on the thickness of MX and the surface functional groups. Specifically, the thickness and surface functionalization increase C and D significantly. The Foppl-von Karman numbers per area (C/D), as the flexibility descriptor, of MXenes are comparable with that of the MoS2 monolayer, indicating MXenes as a class of strong yet bendable materials. The effective thickness, the critical parameter bridging C and D, of MXenes is determined to be only two-thirds of the average layer spacing. This study provides a fundamental basis for quantifying the rigidity of MXenes at the nanoscale.
资助项目	National Natural Science Foundation of China[51902218] ; National Natural Science Foundation of China[51972310] ; Natural Science Foundation of Suzhou University of Science and Technology[341930019] ; Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences (CAS)[2011152]
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000510729400028
资助机构	National Natural Science Foundation of China ; Natural Science Foundation of Suzhou University of Science and Technology ; Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences (CAS)
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/137300]
专题	金属研究所_中国科学院金属研究所
通讯作者	Wang, Xiaohui
作者单位	1.Qingdao Univ, Coll Life Sci, Qingdao 200671, Peoples R China 2.Suzhou Univ Sci & Technol, Inst Mat Sci & Devices, Suzhou 215009, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China 4.Univ Sci & Technol China, Hefei 230026, Peoples R China 5.Shenzhen Univ, Inst Adv Study, Shenzhen 518060, Peoples R China 6.Qingdao Univ, Inst Cross Field Sci, Qingdao 200671, Peoples R China
推荐引用方式 GB/T 7714	Hu, Tao,Yang, Jinxing,Li, Wu,et al. Quantifying the rigidity of 2D carbides (MXenes)[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2020,22(4):2115-2121.
APA	Hu, Tao,Yang, Jinxing,Li, Wu,Wang, Xiaohui,&Li, Chang Ming.(2020).Quantifying the rigidity of 2D carbides (MXenes).PHYSICAL CHEMISTRY CHEMICAL PHYSICS,22(4),2115-2121.
MLA	Hu, Tao,et al."Quantifying the rigidity of 2D carbides (MXenes)".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22.4(2020):2115-2121.