| Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study | |
| Zhang, Xin1,2; Wang, Shaoqing1 | |
| Corresponding Author | Wang, Shaoqing(sqwang@imr.ac.cn) |
| 2021-03-01 | |
| Source Publication | NANOMATERIALS
 |
| Volume | 11Issue:3Pages:15 |
| Abstract | The 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. |
| Keyword | Stone– Wales defect single vacancy double vacancy interfacial bonding strength mechanical properties graphene Al composites |
| Funding Organization | CAS Frontier Science Research Project ; National Key R&D Program of China ; SYNL Basic Frontier and Technological Innovation Research Project |
| DOI | 10.3390/nano11030738 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | CAS 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 Area | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| WOS Subject | Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied |
| WOS ID | WOS:000633955200001 |
| Publisher | MDPI |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/161590 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Wang, Shaoqing |
| Affiliation | 1.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. |
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