Formation of Moire superstructure of epitaxial graphene on Pt(111): A molecular dynamic simulation investigation
文献类型：期刊论文
| 作者 | Sun B3; 欧阳文泽2 ; Gu JB3; Wang CJ3; Wang JJ1; Mi LW3
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| 刊名 | MATERIALS CHEMISTRY AND PHYSICS
 |
| 出版日期 | 2020-10-01 |
| 卷号 | 253页码:9 |
| ISSN号 | 0254-0584 |
| DOI | 10.1016/j.matchemphys.2020.123126 |
| 通讯作者 | Sun, Bin(sunbin7610@sina.com) ; Ouyang, Wenze(oywz@imech.ac.cn) |
| 英文摘要 | The moire superstructures formed in the graphene on Pt (111) surface have been studied employing classical molecular dynamics (CMD) simulation. We have shown that the 20 moire superstructures, whose positions and periodicities are the same as the prediction of the geometric model proposed by Merino, can be obtained via the rotation of graphene. This observation demonstrates that molecular dynamics simulation is an effective method for searching for moire superstructure formed in the graphene on transition metal surface. The characteristics of moire superstructures, such as fluctuation of the graphene layer, C-C bond length and stress of carbon atoms, are investigated. For the superstructures with large periodicity, the graphene layer is fluctuant. In the region of the maximal height of the superstructure, there is a strong attraction between the graphene and Pt substrate, so that the carbon atoms are concave, and the C-C bonds are stretched by 0.0004 angstrom. In the region of the minimal height of the superstructure, the C-C bond lengths are the same as those in freestanding graphene. Additionally, a moire superstructure with an ultra-long periodicity (L = 60.1 angstrom) is observed, and its formation mechanism is discussed. |
| 分类号 | 二类 |
| WOS关键词 | ELECTRONIC-PROPERTIES ; DIFFUSION ; MECHANISM ; METALS ; STRAIN ; AU ; CU |
| WOS研究方向 | Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000569785200011 |
| 其他责任者 | Sun, Bin ; Ouyang, Wenze |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/85225]  |
| 专题 | 力学研究所_国家微重力实验室 |
| 作者单位 | 1.Zhongyuan Univ Technol, Coll Sci, Ctr Quantum Funct Mat & Design, Zhengzhou 450007, Henan, Peoples R China 2.Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Natl Micrograv Lab, Beijing 100190, Peoples R China; 3.Zhongyuan Univ Technol, Sch Mat & Chem Engn, Zhengzhou 450007, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Sun B,欧阳文泽,Gu JB,et al. Formation of Moire superstructure of epitaxial graphene on Pt(111): A molecular dynamic simulation investigation[J]. MATERIALS CHEMISTRY AND PHYSICS,2020,253:9. |
| APA | Sun B,欧阳文泽,Gu JB,Wang CJ,Wang JJ,&Mi LW.(2020).Formation of Moire superstructure of epitaxial graphene on Pt(111): A molecular dynamic simulation investigation.MATERIALS CHEMISTRY AND PHYSICS,253,9. |
| MLA | Sun B,et al."Formation of Moire superstructure of epitaxial graphene on Pt(111): A molecular dynamic simulation investigation".MATERIALS CHEMISTRY AND PHYSICS 253(2020):9. |
入库方式： OAI收割
来源：力学研究所
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