• 文献标题:   A proposed nomenclature for graphene pores: a systematic study of their geometrical features and an algorithm for their generation and enumeration
  • 文献类型:   Article
  • 作  者:   FTHENAKIS ZG
  • 作者关键词:   graphene pore, nomenclature, algorithm, geometrical feature
  • 出版物名称:   CARBON
  • ISSN:   0008-6223 EI 1873-3891
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1016/j.carbon.2022.07.038 EA AUG 2022
  • 出版年:   2022

▎ 摘  要

In the present study we propose a nomenclature scheme for graphene pores based on the arrangement of 2-fold coordinated atoms in the pore boundary. An expansion of that scheme is also proposed, to include pores with functionalized and/or reconstructed edges. The proposed nomenclature provides a unique, unambiguous, uni-form and consistent way to name and identify graphene pores. Moreover, using graph theory we systematically study the geometrical features of graphene pores and we present an algorithm for their generation, identification and enumeration. The present nomenclature scheme could be also used for naming graphene flakes and edges and can be expanded to include similar systems.