• 文献标题:   First-Principles Calculations of Adatom-Vacancy Pairs on the Graphene
  • 文献类型:   Article
  • 作  者:   LIN JB, NISHIDA K, SAITO M
  • 作者关键词:  
  • 出版物名称:   JAPANESE JOURNAL OF APPLIED PHYSICS
  • ISSN:   0021-4922 EI 1347-4065
  • 通讯作者地址:   Kanazawa Univ
  • 被引频次:   0
  • DOI:   10.1143/JJAP.51.125101
  • 出版年:   2012

▎ 摘  要

By using first-principles calculation, we study adatom-vacancy pairs on graphenes. We found that the healing barrier of the adatom-vacancy pair is very small (0.06 eV) when the adatom is bonded to a nearest carbon atom of the mono-vacancy. Therefore, this pair is easily healed. On the contrary, when the adatom is located 4.26-5.54 angstrom far from the vacant site, the healing barrier becomes high (0.24-0.32 eV), but these barriers are lower than that of the adatom diffusion. It is therefore expected that these adatom-vacancy pairs are healed in low temperature range where the adatom does not diffuse. (C) 2012 The Japan Society of Applied Physics