Phagraphene: A Low-Energy Graphene Allotrope Composed of 5–6–7 Carbon Rings with Distorted Dirac Cones Article Swipe

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Zhenhai Wang , Xiang‐Feng Zhou , Xiaoming Zhang , Qiang Zhu , Huafeng Dong , Mingwen Zhao , Artem R. Oganov ·

YOU? · · 2015 · Open Access · · DOI: https://doi.org/10.1021/acs.nanolett.5b02512 · OA: W572223709

Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene [fæ'græfi:n], standing for penta-hexa-hepta-graphene, because the structure is composed of 5-6-7 carbon rings. This two-dimensional (2D) carbon structure is lower in energy than most of the predicted 2D carbon allotropes due to its sp(2)-binding features and density of atomic packing comparable to graphene. More interestingly, the electronic structure of phagraphene has distorted Dirac cones. The direction-dependent cones are further proved to be robust against external strain with tunable Fermi velocities.