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 | |
刊名 | NANOMATERIALS |
2023-07-01 | |
卷号 | 13期号:13页码:1936 |
关键词 | monolayer fullerene fracture behavior molecular dynamics simulation tensile property pre-crack system graphene substrate |
DOI | 10.3390/nano13131936 |
英文摘要 | 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. |
分类号 | 二类/Q1 |
WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
语种 | 英语 |
WOS记录号 | WOS:001031220400001 |
资助机构 | 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] |
其他责任者 | 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. |
内容类型 | 期刊论文 |
源URL | [http://dspace.imech.ac.cn/handle/311007/92544] |
专题 | 力学研究所_非线性力学国家重点实验室 |
作者单位 | 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 |
推荐引用方式 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. |
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. |
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