• 文献标题:   Theoretical Study of Vacancies and Adatoms in White Graphene
  • 文献类型:   Article
  • 作  者:   KUZUBOV AA, SERZHANTOVA MV, FEDOROV AS, TOMILIN FN, KOZHEVNIKOVA TA
  • 作者关键词:  
  • 出版物名称:   JETP LETTERS
  • ISSN:   0021-3640 EI 1090-6487
  • 通讯作者地址:   Siberian Fed Univ
  • 被引频次:   9
  • DOI:   10.1134/S0021364011060051
  • 出版年:   2011

▎ 摘  要

The stability of the B and N atomic vacancies and divacancies in an h-BN monolayer deformed by 2 and 4% along one of the axes has been investigated. It has been established that the N atomic vacancies are most stable; their concentration is insignificant and does not affect the properties of white graphene. The number of vacancies depends on the mobility of N and B atoms on the layer surface; therefore, the probability of recombination with the vacancies has been estimated. It has been revealed that the energy barrier for the migration of the B and N adatoms is about 0.23 and 1.23 eV, respectively. In view of such a low barrier for the B adatom, this type of adatoms will quite rapidly move over the surface and recombine with vacancies, in contrast to the N adatoms. Therefore, only nitrogen atom vacancies can exist in the h-BN monolayer grown by the methods, where the adatoms could possibly appear on the surface.