| Enhancing the Mechanical Stability of 2D Fullerene with a Graphene Substrate and Encapsulation | |
| Yu, Taotao; Li, Jianyu; Han, Mingjun; Zhang, Yinghe; Li, Haipeng; Peng Q(彭庆); Tang, HoKin | |
| Source Publication | NANOMATERIALS
 |
| 2023-07-01 | |
| Volume | 13Issue:13Pages:1936 |
| Abstract | Recent advancements have led to the synthesis of novel monolayer 2D carbon structures, namely quasi-hexagonal-phase fullerene (qHPC(60)) and quasi-tetragonal-phase fullerene (qTPC(60)). Particularly, qHPC(60) exhibits a promising medium band gap of approximately 1.6 eV, making it an attractive candidate for semiconductor devices. In this study, we conducted comprehensive molecular dynamics simulations to investigate the mechanical stability of 2D fullerene when placed on a graphene substrate and encapsulated within it. Graphene, renowned for its exceptional tensile strength, was chosen as the substrate and encapsulation material. We compared the mechanical behaviors of qHPC(60) and qTPC(60), examined the influence of cracks on their mechanical properties, and analyzed the internal stress experienced during and after fracture. Our findings reveal that the mechanical reliability of 2D fullerene can be significantly improved by encapsulating it with graphene, particularly strengthening the cracked regions. The estimated elastic modulus increased from 191.6 (qHPC(60)) and 134.7 GPa (qTPC(60)) to 531.4 and 504.1 GPa, respectively. Moreover, we observed that defects on the C60 layer had a negligible impact on the deterioration of the mechanical properties. This research provides valuable insights into enhancing the mechanical properties of 2D fullerene through graphene substrates or encapsulation, thereby holding promising implications for future applications. |
| Keyword | monolayer fullerene fracture behavior molecular dynamics simulation tensile property pre-crack system graphene substrate |
| DOI | 10.3390/nano13131936 |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:001031220400001 |
| WOS Research Area | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| WOS Subject | Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied |
| Funding Organization | Start-Up Research Fund in HITSZ [ZX20210478, X20220001] ; Young Scientists Fund of the National Natural Science Foundation of China [12204130] ; Shenzhen Key Laboratory of Advanced Functional Carbon Materials Research and Comprehensive Application [ZDSYS20220527171407017] ; Key Academic Discipline Project of CUMT [.2022WLXK08] ; Basic Research Project of Xuzhou City [KC22043] ; Shenzhen Science and Technology Program [KQTD20200820113045081] ; National Natural Science Foundation of China [12272378] ; LiYing Program of the Institute of Mechanics, Chinese Academy of Sciences [E1Z1011001] |
| Classification | 二类/Q1 |
| Ranking | 1 |
| Contributor | Peng, Q ; Tang, HK (corresponding author), Harbin Inst Technol Shenzhen, Sch Sci, Shenzhen 518055, Peoples R China. ; Tang, HK (corresponding author), Harbin Inst Technol Shenzhen, Shenzhen Key Lab Adv Funct Carbon Mat Res & Compre, Shenzhen 518055, Peoples R China. ; Peng, Q (corresponding author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China. ; Peng, Q (corresponding author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China. |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/92544 |
| Collection | 非线性力学国家重点实验室 |
| Affiliation | 1.{Yu, Taotao, Li, Jianyu, Han, Mingjun, Zhang, Yinghe, Peng, Qing, Tang, Ho-Kin} Harbin Inst Technol Shenzhen, Sch Sci, Shenzhen 518055, Peoples R China 2.{Yu, Taotao, Li, Jianyu, Han, Mingjun, Zhang, Yinghe, Tang, Ho-Kin} Harbin Inst Technol Shenzhen, Shenzhen Key Lab Adv Funct Carbon Mat Res & Compre, Shenzhen 518055, Peoples R China 3.{Li, Haipeng} China Univ Min & Technol, Sch Mat Sci & Phys, Xuzhou 221116, Peoples R China 4.{Peng, Qing} Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China 5.{Peng, Qing} Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China |
| Recommended Citation GB/T 7714 | Yu, Taotao,Li, Jianyu,Han, Mingjun,et al. Enhancing the Mechanical Stability of 2D Fullerene with a Graphene Substrate and Encapsulation[J]. NANOMATERIALS,2023,13,13,:1936.Rp_Au:Peng, Q, Tang, HK (corresponding author), Harbin Inst Technol Shenzhen, Sch Sci, Shenzhen 518055, Peoples R China., Tang, HK (corresponding author), Harbin Inst Technol Shenzhen, Shenzhen Key Lab Adv Funct Carbon Mat Res & Compre, Shenzhen 518055, Peoples R China., Peng, Q (corresponding author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China., Peng, Q (corresponding author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China. |
| APA | Yu, Taotao.,Li, Jianyu.,Han, Mingjun.,Zhang, Yinghe.,Li, Haipeng.,...&Tang, HoKin.(2023).Enhancing the Mechanical Stability of 2D Fullerene with a Graphene Substrate and Encapsulation.NANOMATERIALS,13(13),1936. |
| MLA | Yu, Taotao,et al."Enhancing the Mechanical Stability of 2D Fullerene with a Graphene Substrate and Encapsulation".NANOMATERIALS 13.13(2023):1936. |
| Files in This Item: | Download All | |||||
| File Name/Size | DocType | Version | Access | License | ||
| Jp2023A111.pdf（9854KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment