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Atomic Fracture Mechanism in Suspended 2D Transition Metal Dichalcogenides

文献类型：期刊论文

作者Ma, Yinhang6; Luo, Ruichun6; Tian SH(田诗豪)4,5; Ji, Yujin3; Pennycook, Stephen J6; Liu, Yuanyue1,2; Yuan QZ(袁泉子)4,5; Zhou, Wu6
刊名ADVANCED FUNCTIONAL MATERIALS
出版日期2024-08-13
页码8
关键词atomic fracture bond dissociation fracture mode low-dose STEM transition metal dichalcogenides (TMDs)
ISSN号1616-301X
DOI10.1002/adfm.202409839
通讯作者Yuan, Quanzi(yuanquanzi@lnm.imech.ac.cn) ; Zhou, Wu(wuzhou@ucas.ac.cn)
英文摘要A comprehensive understanding of atomic fracture mechanisms in 2D materials is essential for their practical applications, yet this knowledge is currently limited. To address this gap, an aberration-corrected scanning transmission electron microscope (STEM) to induce new cracks in suspended monolayer transition metal dichalcogenides (TMDs) using broad electron beam illumination, is employed. During characterization, a low-dose electron beam to avoid irradiation damage, allowing to observe the atomic fracture behavior in these materials, is utilized. The STEM experiments reveal a novel atomic fracture pattern along the zigzag direction, resulting in a distribution where half of the chalcogen atoms (S or Se) adhered to the molybdenum-terminated (Mo-T) edge and the other half to the chalcogen-terminated (S-T or Se-T) edge. Density functional theory (DFT) calculations suggest that this fracture mode produces a pair of edges with the lowest formation energy. Additionally, molecular dynamics (MD) simulations support the observed fracture behavior under a mixed mechanical loading mode of "I+III" with both in-plane and out-of-plane stress, originating from the ultrathin nature and nonplanar deformation in suspended 2D materials. This research offers new insights for the development of 2D fracture mechanics and is pivotal for designing devices incorporating 2D materials. Non-destructive in situ scanning transmission electron microscopy reveals a novel atomic fracture behavior in suspended monolayer MoS2 and MoSe2, featured by single chalcogen atoms (S or Se) on both crack edges. The out-of-plane deformation, arising from the ultrathin nature of these suspended monolayer films, plays a central role in this fracture process. image
分类号一类
WOS关键词2-DIMENSIONAL MATERIALS ; CRACK-PROPAGATION ; GRAPHENE ; SIMULATION ; DEFECTS ; BRITTLE
资助项目Beijing Outstanding Young Scientist Program[BJJWZYJH01201914430039] ; Electron Microscopy Center at the University of Chinese Academy of Sciences ; National Key Research and Development Program of China[2022YFA1203200] ; Strategic Priority Research Program of Chinese Academy of Sciences[XDB0620103] ; China National Postdoctoral Program for Innovative Talents[BX2021301]
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种英语
WOS记录号WOS:001289281400001
资助机构Beijing Outstanding Young Scientist Program ; Electron Microscopy Center at the University of Chinese Academy of Sciences ; National Key Research and Development Program of China ; Strategic Priority Research Program of Chinese Academy of Sciences ; China National Postdoctoral Program for Innovative Talents
其他责任者Yuan, Quanzi ; Zhou, Wu
源URL[http://dspace.imech.ac.cn/handle/311007/96292]  
专题力学研究所_非线性力学国家重点实验室
作者单位1.Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA
2.Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA;
3.Soochow Univ, Inst Funct Nano & Soft Mat FUNSOM, Jiangsu Key Lab Carbon Based Funct Mat & Devices, Suzhou 215123, Jiangsu, Peoples R China;
4.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China;
5.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China;
6.Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China;
推荐引用方式
GB/T 7714		 Ma, Yinhang,Luo, Ruichun,Tian SH,et al. Atomic Fracture Mechanism in Suspended 2D Transition Metal Dichalcogenides[J]. ADVANCED FUNCTIONAL MATERIALS,2024:8.
APA Ma, Yinhang.,Luo, Ruichun.,田诗豪.,Ji, Yujin.,Pennycook, Stephen J.,...&Zhou, Wu.(2024).Atomic Fracture Mechanism in Suspended 2D Transition Metal Dichalcogenides.ADVANCED FUNCTIONAL MATERIALS,8.
MLA Ma, Yinhang,et al."Atomic Fracture Mechanism in Suspended 2D Transition Metal Dichalcogenides".ADVANCED FUNCTIONAL MATERIALS (2024):8.

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来源：力学研究所

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