• 文献标题:   Translationally symmetric graphene strips
  • 文献类型:   Article
  • 作  者:   KLEIN DJ, GOSWAMI T, ORTIZ YP
  • 作者关键词:   graphene strip, translational symmetry, nonbonding mo, spin density
  • 出版物名称:   JOURNAL OF MATHEMATICAL CHEMISTRY
  • ISSN:   0259-9791 EI 1572-8897
  • 通讯作者地址:   Texas A M Univ Galveston
  • 被引频次:   2
  • DOI:   10.1007/s10910-020-01112-7 EA FEB 2020
  • 出版年:   2020

▎ 摘  要

The character of non-bonding molecular orbitals (and the related spin-density) is addressed in the general circumstance of translationally symmetric graphenic strips. Besides a systematic characterization of such possible strips, couplings are addressed between boundary-localized unpaired spins, including the case when opposite sides of a strip are two different types of (translationally symmetric) boundaries.