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.
A proposed nomenclature for graphene pores: a systematic study of their geometrical features and an algorithm for their generation and enumeration
Fthenakis;
2022
Abstract
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
