| Atomic Fracture Mechanism in Suspended 2D Transition Metal Dichalcogenides | |
| Ma, Yinhang1; Luo, Ruichun1; Tian SH(田诗豪)2,3; Ji, Yujin4; Pennycook, Stephen J1; Liu, Yuanyue5,6; Yuan QZ(袁泉子)2,3; Zhou, Wu1 | |
| Corresponding Author | Yuan, Quanzi([email protected]) ; Zhou, Wu([email protected]) |
| Source Publication | ADVANCED FUNCTIONAL MATERIALS
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| 2024-08-13 | |
| Pages | 8 |
| ISSN | 1616-301X |
| Abstract | 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 |
| Keyword | atomic fracture bond dissociation fracture mode low-dose STEM transition metal dichalcogenides (TMDs) |
| DOI | 10.1002/adfm.202409839 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:001289281400001 |
| WOS Keyword | 2-DIMENSIONAL MATERIALS ; CRACK-PROPAGATION ; GRAPHENE ; SIMULATION ; DEFECTS ; BRITTLE |
| WOS Research Area | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| WOS Subject | Chemistry, Multidisciplinary ; Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter |
| Funding Project | 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] |
| Funding Organization | 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 |
| Classification | 一类 |
| Ranking | 1 |
| Contributor | Yuan, Quanzi ; Zhou, Wu |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/96293 |
| Collection | 非线性力学国家重点实验室 |
| Affiliation | 1.Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China; 2.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China; 3.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China; 4.Soochow Univ, Inst Funct Nano & Soft Mat FUNSOM, Jiangsu Key Lab Carbon Based Funct Mat & Devices, Suzhou 215123, Jiangsu, Peoples R China; 5.Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA; 6.Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA |
| Recommended Citation 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.Rp_Au:Yuan, Quanzi, Zhou, Wu |
| 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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