• 文献标题:   Ordering kinetics of dopant atoms in graphene lattice with stoichiometric compositions of 1/3 and 1/6
  • 文献类型:   Article
  • 作  者:   RADCHENKO TM, TATARENKO VA
  • 作者关键词:   doped grapheme, honeycomb lattice, ordering kinetic, relaxation
  • 出版物名称:   MATERIALWISSENSCHAFT UND WERKSTOFFTECHNIK
  • ISSN:   0933-5137 EI 1521-4052
  • 通讯作者地址:   NASU
  • 被引频次:   0
  • DOI:   10.1002/mawe.201300094
  • 出版年:   2013

▎ 摘  要

Possible ordered distributions of carbon (C) and substituting dopant (A) atoms over the sites in a graphene-type lattice are considered for C(2)A- and C(5)A-type (super)structures (corresponding to stoichiometries of 1/3 and 1/6, respectively). Relaxation model of atomic long-range order (LRO) in a graphene-based lattice is developed, and kinetic curves of the long-range order parameters are calculated for a wide range of values of temperature and energy parameters. The long-range order parameters of C(2)A and C(5)A structures, described by three long-range order parameters, can relax nonmonotonically. It is caused by the competition' of intra- and intersublattice interaction energies: the first ones predominate only at the early relaxation stage opposing the ordering, while the second ones predominate at the later relaxation stage and in the equilibrium contributing to the ordering.