Related Experiment Video
Updated: May 15, 2026

Advanced Self-Healing Asphalt Reinforced by Graphene Structures: An Atomistic Insight
Published on: May 31, 2022
Non-hexagonal-ring defects and structures induced by healing and strain in graphene and functionalized graphene
Joice da Silva-Araújo1, A J M Nascimento, Hélio Chacham
1Departamento de Física, Universidade Federal de Minas Gerais, Belo Horizonte, MG, Brazil.
Abstract:
We perform ab initio calculations for the strain-induced formation of non-hexagonal-ring defects in graphene, graphane (hydrogen-functionalized graphene) and graphenol (hydroxyl-functionalized graphene). We find that the simplest of such topological defects, the Stone-Wales defect, acts as a seed for strain-induced dissociation and multiplication of topological defects. Through the application of inhomogeneous deformations to graphene, graphane and graphenol with varying initial concentrations of pentagonal and heptagonal rings and small-sized voids, we obtain several novel stable structures that possess, at the same time, large concentrations of non-hexagonal rings (from fourfold to elevenfold) and small formation energies.
Related Concept Videos
Imperfections in Crystal Structure: Point, Line and Plane Defects
Imperfections in Crystal Structure: Stoichiometric Point Defects
Imperfections in Crystal Structure: Non-Stoichiometric Defects
Conformations of Cyclohexane
The chair form is the most stable and derives its name from its resemblance to the “easy chair.” In the chair conformation, two carbon atoms are arranged out-of-plane — one above and one below, minimizing the torsional strain. In the chair form, the bond angle is very close to the ideal tetrahedral value,...
Conformations of Cycloalkanes

