Tunable band structures of polycrystalline graphene by external and mismatch strains
文献类型：期刊论文
| 作者 | Wu JT(吴江涛) ; Shi XH(施兴华); Wei YJ(魏宇杰); Wei YJ(魏宇杰)
|
| 刊名 | Acta Mechanica Sinica
 |
| 出版日期 | 2012-12-25 |
| 卷号 | 28期号:6页码:1539-1544 |
| 通讯作者邮箱 | yujie_wei@lnm.imech.ac.cn |
| 关键词 | Graphene Grain boundary Defects Strain Band gap |
| ISSN号 | 0567-7718 |
| 产权排序 | [Jiang-Tao Wu, Xing-Hua Shi, Yu-Jie Wei] LNM, Institute of Mechanics, Chinese Academy of Sciences, 100190 Beijing, China |
| 通讯作者 | 魏宇杰 |
| 中文摘要 | Lacking a band gap largely limits the application of graphene in electronic devices. Previous study shows that grain boundaries (GBs) in polycrystalline graphene can dramatically alter the electrical properties of graphene. Here, we investigate the band structure of polycrystalline graphene tuned by externally imposed strains and intrinsic mismatch strains at the GB by density functional theory (DFT) calculations. We found that graphene with symmetrical GBs typically has zero band gap even with large uniaxial and biaxial strain. However, some particular asymmetrical GBs can open a band gap in graphene and their band structures can be substantially tuned by external strains. A maximum band gap about 0.19 eV was observed in matched-armchair GB (5, 5) | (3, 7) with a misorientation of θ=13 when the applied uniaxial strain increases to 9%. Although mismatch strain is inevitable in asymmetrical GBs, it has a small influence on the band gap of polycrystalline graphene. |
| 学科主题 | 损伤、破坏机理和微结构演化 |
| 分类号 | 二类 |
| 收录类别 | SCI ; EI ; CSCD |
| 资助信息 | The project was supported by the National Natural Science Foundation of China (11021262 and 11023001) and MOST 973 of China (2012CB937500). |
| 原文出处 | http://dx.doi.org/10.1007/s10409-012-0164-x |
| 语种 | 英语 |
| WOS记录号 | WOS:000313061200005 |
| 公开日期 | 2013-01-31 |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/46788]  |
| 专题 | 力学研究所_非线性力学国家重点实验室 |
| 通讯作者 | Wei YJ(魏宇杰) |
| 推荐引用方式 GB/T 7714 | Wu JT,Shi XH,Wei YJ,et al. Tunable band structures of polycrystalline graphene by external and mismatch strains[J]. Acta Mechanica Sinica,2012,28(6):1539-1544. |
| APA | Wu JT,Shi XH,Wei YJ,&魏宇杰.(2012).Tunable band structures of polycrystalline graphene by external and mismatch strains.Acta Mechanica Sinica,28(6),1539-1544. |
| MLA | Wu JT,et al."Tunable band structures of polycrystalline graphene by external and mismatch strains".Acta Mechanica Sinica 28.6(2012):1539-1544. |
入库方式： OAI收割
来源：力学研究所
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