Technical Report 237, c4e-Preprint Series, Cambridge
Topology of disordered 3D graphene networks
Reference: Technical Report 237, c4e-Preprint Series, Cambridge, 2019
- Self-assembled carbon networks representing the most experimentally accurate and large models for disordered carbon materials were analysed.
- A new mesh-based analysis showed that the global curvature was saddle-like.
- Layering arose from density driven screw dislocations and a variety of non-graphenelike defects.
Disordered carbons comprise graphene fragments assembled into three-dimensional networks. It has long been debated whether these networks contain positive curvature, as seen in fullerenes, negative curvature, as proposed for the schwarzite structures, or zero curvature, as in ribbons. We present a mesh-based approach to analyse the topology of a set of nanoporous and glassy carbon models that accurately reproduce experimental properties. Although all three topological elements are present, negatively curved structures dominate. At the atomic level, analysis of local environments shows that sp- and sp3-bonded atoms are associated with line defects and screw dislocations that resolve topological complexities such as termination of free edges and stacking of low curvature regions into ribbons. These results provide insight into the synthesis of porous carbon materials, glassy carbon and the graphitisability of carbon materials.
Material from this preprint has been published in Physical Review Letters.
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