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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
Corresponding AuthorHan, Peide(hanpeide@tyut.edu.cn)
Source PublicationMATERIALS CHEMISTRY AND PHYSICS
2019-06-01
Volume231Pages:188-195
ISSN0254-0584
AbstractGraphene 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.
KeywordGraphene First principles Physical properties Mechanical properties Deformation mechanism
DOI10.1016/j.matchemphys.2018.12.026
Indexed BySCI ; EI
Language英语
WOS IDWOS:000491428200024
WOS KeywordCOPPER ; DUCTILITY ; PLASTICITY ; DISPERSION ; STABILITY ; STRENGTH ; ELEMENTS ; ENERGY
WOS Research AreaMaterials Science
WOS SubjectMaterials Science, Multidisciplinary
Funding ProjectNational 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]
Funding OrganizationNational Natural Science Foundation of China ; Natural Science Foundation of Shanxi Province ; Innovation Project of Shanxi Graduate Education
Classification二类
Ranking5+
ContributorHan, Peide
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/81413
Collection非线性力学国家重点实验室
Affiliation1.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
Recommended Citation
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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