IMR OpenIR
Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study
Zhang, Xin1,2; Wang, Shaoqing1
Corresponding AuthorWang, Shaoqing(sqwang@imr.ac.cn)
2021-03-01
Source PublicationNANOMATERIALS
Volume11Issue:3Pages:15
AbstractThe relationship between point defects and mechanical properties has not been fully understood yet from a theoretical perspective. This study systematically investigated how the Stone-Wales (SW) defect, the single vacancy (SV), and the double vacancy (DV) affect the mechanical properties of graphene/aluminum composites. The interfacial bonding energies containing the SW and DV defects were about twice that of the pristine graphene. Surprisingly, the interfacial bonding energy of the composites with single vacancy was almost four times that of without defect in graphene. These results indicate that point defects enhance the interfacial bonding strength significantly and thus improve the mechanical properties of graphene/aluminum composites, especially the SV defect. The differential charge density elucidates that the formation of strong Al-C covalent bonds at the defects is the most fundamental reason for improving the mechanical properties of graphene/aluminum composites. The theoretical research results show the defective graphene as the reinforcing phase is more promising to be used in the metal matrix composites, which will provide a novel design guideline for graphene reinforced metal matrix composites. Furthermore, the sp(3)-hybridized C dangling bonds increase the chemical activity of the SV graphene, making it possible for the SV graphene/aluminum composites to be used in the catalysis field.
KeywordStone– Wales defect single vacancy double vacancy interfacial bonding strength mechanical properties graphene Al composites
Funding OrganizationCAS Frontier Science Research Project ; National Key R&D Program of China ; SYNL Basic Frontier and Technological Innovation Research Project
DOI10.3390/nano11030738
Indexed BySCI
Language英语
Funding ProjectCAS Frontier Science Research Project[QYZDJ-SSWJSC015] ; National Key R&D Program of China[2016YFB0701302] ; SYNL Basic Frontier and Technological Innovation Research Project[L2019R10]
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS SubjectChemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS IDWOS:000633955200001
PublisherMDPI
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/161593
Collection中国科学院金属研究所
Corresponding AuthorWang, Shaoqing
Affiliation1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Xin,Wang, Shaoqing. Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study[J]. NANOMATERIALS,2021,11(3):15.
APA Zhang, Xin,&Wang, Shaoqing.(2021).Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study.NANOMATERIALS,11(3),15.
MLA Zhang, Xin,et al."Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study".NANOMATERIALS 11.3(2021):15.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhang, Xin]'s Articles
[Wang, Shaoqing]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhang, Xin]'s Articles
[Wang, Shaoqing]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhang, Xin]'s Articles
[Wang, Shaoqing]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.