Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study
文献类型：期刊论文
| 作者 | Zhang, Xin1,2; Wang, Shaoqing1 |
| 刊名 | NANOMATERIALS
 |
| 出版日期 | 2021-03-01 |
| 卷号 | 11期号:3页码:15 |
| 关键词 | Stone– Wales defect single vacancy double vacancy interfacial bonding strength mechanical properties graphene Al composites |
| DOI | 10.3390/nano11030738 |
| 通讯作者 | Wang, Shaoqing(sqwang@imr.ac.cn) |
| 英文摘要 | 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. |
| 资助项目 | 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研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000633955200001 |
| 出版者 | MDPI |
| 资助机构 | CAS Frontier Science Research Project ; National Key R&D Program of China ; SYNL Basic Frontier and Technological Innovation Research Project |
| 源URL | [http://ir.imr.ac.cn/handle/321006/161589]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Wang, Shaoqing |
| 作者单位 | 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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。