• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>RSC Advances >Graphene layers on Si-face and C-face surfaces and interaction with Si and C atoms in layer controlled graphene growth on SiC substrates
【24h】

Graphene layers on Si-face and C-face surfaces and interaction with Si and C atoms in layer controlled graphene growth on SiC substrates

机译：Si面和C面表面上的石墨烯层以及与SiC衬底上的石墨烯生长层中的Si和C原子相互作用

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

It is important to understand the interface and interaction between graphene Layers and SiC surfaces as well as the interaction of key intermediate Si and C atoms with these surfaces and interfaces in epitaxial graphene growth on SiC substrates. In this study, we used the DFT-D2 method, which includes critical Long-range van der Waals forces in graphene-SiC interaction, to study interface and interaction between mono-, bi-, and trilayer graphene and Si-face and C-face of SiC substrates as well as single Si and C atom interactions with these surfaces and interfaces. Our results show that the interface, which includes the bottom Layer of graphene and top Layer of SiC, has a major reconstruction due to the strong interaction of C-Si or C-C covalent bonds. The interaction energy of graphene bottom Layer with the C-face is significantly Lower than that with the Si-face, although there are stronger C-C covalent bonds and shorter interlayer distances at the graphene-C-face than that at the graphene-Si-face. In contrast, the interaction energy of second Layer with bottom Layer of graphene on the C-face is obviously higher than that on the Si-face. In particular, the top two Layers almost float on the bottom Layer of trilayer graphene on the Si-face. Furthermore, the bottom Layer on Si-face with a metallic surface is more chemically active than that on the C-face with a semiconducting surface. Compared with the interaction of Si and C atoms with these surfaces and interfaces, the results show that Si atom has a stronger interaction with both bare Si-face and C-face than the C atom. Moreover, the interactions of Si and C atoms with bare Si-face are stronger than that with bare C-face. More importantly, once SiC surfaces are covered by a first carbon Layer, C atom prefers to stay at the interface between the existing carbon Layer and Si-face or C-face rather than on the surface of the existing carbon Layer. In contrast, Si atom only prefers to stay on the surface of the existing carbon Layer, and not on the interface. The difference in Si and C atoms on this issue may result in the epitaxial growth of new carbon islands or Layers at the interface between the existing carbon Layer and Si-face or C-face. ALL these findings provide insight into the controlled growth of epitaxial graphene on SiC substrates and the design of graphene-SiC based electronic devices.
机译：重要的是了解石墨烯层与SiC表面之间的界面和相互作用以及SiC衬底上外延石墨烯生长中关键的中间Si和C原子与这些表面和界面的相互作用。在这项研究中，我们使用DFT-D2方法（包括石墨烯与SiC相互作用中的临界长范德华力）研究了单层，双层和三层石墨烯与Si面和C-面之间的界面和相互作用SiC衬底的表面以及与这些表面和界面的单个Si和C原子相互作用。我们的结果表明，由于C-Si或C-C共价键之间的强相互作用，包括石墨烯底层和SiC顶层的界面具有重大的重构。石墨烯底层与C面的相互作用能显着低于与Si面的相互作用能，尽管石墨烯C面的CC共价键比石墨烯Si面的相互作用力更强，层间距离更短。相反，C面上第二层与石墨烯底层之间的相互作用能明显高于Si面上。特别地，最上面的两个层几乎浮在Si面上的三层石墨烯的最下面的层上。此外，具有金属表面的Si面上的底层比具有半导体表面的C面上的底层更具化学活性。与Si和C原子与这些表面和界面的相互作用相比，结果表明，Si原子与裸露的Si面和C面都比C原子具有更强的相互作用。此外，Si和C原子与裸露的Si面的相互作用比与C裸露的相互作用强。更重要的是，一旦SiC表面被第一碳层覆盖，C原子就更愿意停留在现有碳层和Si面或C面之间的界面上，而不是停留在现有碳层的表面上。相反，Si原子只喜欢保留在现有碳层的表面上，而不是保留在界面上。在此问题上，Si和C原子的差异可能导致在现有碳层与Si面或C面之间的界面处新的碳岛或层的外延生长。所有这些发现为洞悉SiC衬底上外延石墨烯的受控生长以及基于石墨烯-SiC的电子器件的设计提供了见识。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号