| Graphene/Cu composites: Electronic and mechanical properties by first-principles calculation | |
Zhang Q1,2 ; Liu Y1,2; Liao T3; Zhang CL1,2; Wu XL(武晓雷)4; Liu YS1,2; Qurashi MS1,2; Zheng F1,2; Song QS1,2; Han PD1,2
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| 通讯作者 | Han, Peide(hanpeide@tyut.edu.cn) |
| 发表期刊 | MATERIALS CHEMISTRY AND PHYSICS
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| 2019-06-01 | |
| 卷号 | 231页码:188-195 |
| ISSN | 0254-0584 |
| 摘要 | Graphene characterized with ultrahigh intrinsic strength and excellent electronic properties is an ideal material to reinforce metals without despairing their thermal and electrical properties. Here, the electronic and mechanical properties of graphene intercalated copper (graphene/Cu) composites are investigated using density functional theory calculations. Graphene/Cu systems present an excellent electrical conductivity and increasing Debye temperature from 335 K for pure Cu to over 535 K in regardless of stacking models. In addition to greatly enhanced Young's modulus (149%), shear modulus (156%) and bulk modulus (108%) compared to copper, the ultimate strength of graphene/Cu composites are enhanced by 174% and 162%, in x and y directions, respectively. The strengthening and toughening effects of graphene in the composites is originated from strain strengthening and load transfer, which is consistent with the experimental results. Based on this calculation, the strengthening mechanism can be understood, which explains many experimental observations and also provides us a guide to improve graphene/metal composites quality. |
| 关键词 | Graphene First principles Physical properties Mechanical properties Deformation mechanism |
| DOI | 10.1016/j.matchemphys.2018.12.026 |
| 收录类别 | SCI ; EI |
| 语种 | 英语 |
| WOS记录号 | WOS:000491428200024 |
| 关键词[WOS] | COPPER ; DUCTILITY ; PLASTICITY ; DISPERSION ; STABILITY ; STRENGTH ; ELEMENTS ; ENERGY |
| WOS研究方向 | Materials Science |
| WOS类目 | Materials Science, Multidisciplinary |
| 资助项目 | National Natural Science Foundation of China[51371123] ; Natural Science Foundation of Shanxi Province[201601D202033] ; Natural Science Foundation of Shanxi Province[201601D202034] ; Innovation Project of Shanxi Graduate Education[2016JD20] |
| 项目资助者 | National Natural Science Foundation of China ; Natural Science Foundation of Shanxi Province ; Innovation Project of Shanxi Graduate Education |
| 论文分区 | 二类 |
| 力学所作者排名 | 5+ |
| RpAuthor | Han, Peide |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://dspace.imech.ac.cn/handle/311007/81413 |
| 专题 | 非线性力学国家重点实验室 |
| 作者单位 | 1.Taiyuan Univ Technol, Coll Mat Sci & Engn, Taiyuan 030024, Shanxi, Peoples R China; 2.Taiyuan Univ Technol, Key Lab Interface Sci & Engn Adv Mat, Taiyuan 030024, Shanxi, Peoples R China; 3.Queensland Univ Technol, Sch Chem Phys & Mech Engn, Brisbane, Qld 4000, Australia; 4.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang Q,Liu Y,Liao T,et al. Graphene/Cu composites: Electronic and mechanical properties by first-principles calculation[J]. MATERIALS CHEMISTRY AND PHYSICS,2019,231:188-195. |
| APA | Zhang Q.,Liu Y.,Liao T.,Zhang CL.,武晓雷.,...&Han PD.(2019).Graphene/Cu composites: Electronic and mechanical properties by first-principles calculation.MATERIALS CHEMISTRY AND PHYSICS,231,188-195. |
| MLA | Zhang Q,et al."Graphene/Cu composites: Electronic and mechanical properties by first-principles calculation".MATERIALS CHEMISTRY AND PHYSICS 231(2019):188-195. |
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| Jp2019538.pdf（2141KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | 浏览 下载 | |
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