Anisotropic mechanical response of a 2D covalently bound fullerene lattice
文献类型：期刊论文
| 作者 | Zhao, Shuai2,3 ; Zhang, Xibei1,3; Ni, Yong2; Peng, Qing1,3; Wei, Yujie1,3; Wei YJ(魏宇杰); Zhao S(赵帅); Zhang XB(张曦蓓); Wei YJ(魏宇杰); Wei YJ(魏宇杰)
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| 刊名 | CARBON
 |
| 出版日期 | 2023-01-15 |
| 卷号 | 202页码:118-124 |
| ISSN号 | 0008-6223 |
| 关键词 | MonolayerC(60) fullerene(mC(60)) Mechanical properties Anisotropic strength Strain engineering Band gap |
| DOI | 10.1016/j.carbon.2022.11.005 |
| 通讯作者 | Peng, Qing(pengqing@imech.ac.cn) ; Wei, Yujie(yujie_wei@lnm.imech.ac.cn) |
| 英文摘要 | Contrary to the monotype intercell connection in a hexagonal structure material, newly synthesized stable monolayer C60 fullerene (mC60) lattice possesses two kinds of intercell connection, and anisotropic properties are thus expected. Herein, we have investigated the anisotropy mechanical properties of the mC60 using first -principles calculations within the framework of density functional theory (DFT) and theoretical analysis. Uni-axial tensile properties of mC60 are orientation-dependent, and the ultimate tensile strength and the work-to -fracture of mC60 reach their maxima at 15 degrees and minima at 75 degrees, respectively. A theoretical expression, based on strain-governed bond failure criterion, has been developed for the strength-loading direction relationship of mC60. The theory captures well with the orientation-dependent strength from DFT calculations. We further illustrate that mC60's band gap may be largely tuned through strain engineering. Our atomistic insights and the theoretical on the structure - mechanical property relationship might be helpful in the exploring of the func-tioning and application of mC60, which may be further generalized to the mechanical analysis of other monolayer lattices. |
| WOS关键词 | GRAPHENE ; STRENGTH |
| 资助项目 | National Natural Science Foundation of China (NSFC) Basic Science Center for Multiscale Problems in Nonlinear Mechanics Basic Science Center for ?[11988102] ; LiYing Program of the Institute of Mechanics, Chinese Academy of Science[E1Z1011001] |
| WOS研究方向 | Chemistry ; Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000892289600003 |
| 资助机构 | National Natural Science Foundation of China (NSFC) Basic Science Center for Multiscale Problems in Nonlinear Mechanics Basic Science Center for ? ; LiYing Program of the Institute of Mechanics, Chinese Academy of Science |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/91204]  |
| 专题 | 力学研究所_非线性力学国家重点实验室 |
| 通讯作者 | Peng, Qing; Wei, Yujie |
| 作者单位 | 1.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China 2.Univ Sci & Technol China, Dept Modern Mech, Hefei 230026, Anhui, Peoples R China 3.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao, Shuai,Zhang, Xibei,Ni, Yong,et al. Anisotropic mechanical response of a 2D covalently bound fullerene lattice[J]. CARBON,2023,202:118-124. |
| APA | Zhao, Shuai.,Zhang, Xibei.,Ni, Yong.,Peng, Qing.,Wei, Yujie.,...&Zhang XB.(2023).Anisotropic mechanical response of a 2D covalently bound fullerene lattice.CARBON,202,118-124. |
| MLA | Zhao, Shuai,et al."Anisotropic mechanical response of a 2D covalently bound fullerene lattice".CARBON 202(2023):118-124. |
入库方式： OAI收割
来源：力学研究所
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