Enhancing the Mechanical Stability of 2D Fullerene with a Graphene Substrate and Encapsulation

doi:10.3390/nano13131936

IMECH-IR > 非线性力学国家重点实验室

	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
发表期刊	NANOMATERIALS
	2023-07-01
卷号	13 期号:13 页码:1936
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.
关键词	monolayer fullerene fracture behavior molecular dynamics simulation tensile property pre-crack system graphene substrate
DOI	10.3390/nano13131936
收录类别	SCI
语种	英语
WOS记录号	WOS:001031220400001
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS类目	Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
项目资助者	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]
论文分区	二类/Q1
力学所作者排名	1
RpAuthor	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.
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/92544
专题	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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