Luiz Felipe C. Pereira

Computational Design of Three-Dimensional Nitrogenated Holey Graphene Structures with Phase-Dependent Optoelectronic Properties

Abstract In this work, we propose and comprehensively characterize two novel three-dimensional nitrogenated holey graphene (3D-NHG) structures, designated as the α and β phases. These architectures are predicted through a computational protocol based on the controlled compression...