Graphene/Cu composites: Electronic and mechanical properties by first-principles calculation

doi:10.1016/j.matchemphys.2018.12.026

CORC > 力学研究所 > 中国科学院力学研究所 > 非线性力学国家重点实验室

	Graphene/Cu composites: Electronic and mechanical properties by first-principles calculation
	Zhang Q 1,4; Liu Y 1,4; Liao T 2; Zhang CL 1,4; Wu XL(武晓雷)3; Liu YS 1,4; Qurashi MS 1,4; Zheng F 1,4; Song QS 1,4; Han PD 1,4
刊名	MATERIALS CHEMISTRY AND PHYSICS
	2019-06-01
卷号	231 页码:188-195
关键词	Graphene First principles Physical properties Mechanical properties Deformation mechanism
ISSN号	0254-0584
DOI	10.1016/j.matchemphys.2018.12.026
通讯作者	Han, Peide(hanpeide@tyut.edu.cn)
英文摘要	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.
分类号	二类
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]
WOS关键词	COPPER ; DUCTILITY ; PLASTICITY ; DISPERSION ; STABILITY ; STRENGTH ; ELEMENTS ; ENERGY
WOS研究方向	Materials Science
语种	英语
WOS记录号	WOS:000491428200024
资助机构	National Natural Science Foundation of China ; Natural Science Foundation of Shanxi Province ; Innovation Project of Shanxi Graduate Education
其他责任者	Han, Peide
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/81412]
专题	力学研究所_非线性力学国家重点实验室
作者单位	1.Taiyuan Univ Technol, Key Lab Interface Sci & Engn Adv Mat, Taiyuan 030024, Shanxi, Peoples R China; 2.Queensland Univ Technol, Sch Chem Phys & Mech Engn, Brisbane, Qld 4000, Australia; 3.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China 4.Taiyuan Univ Technol, Coll Mat Sci & Engn, Taiyuan 030024, Shanxi, 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.