Size Dependence in the Stabilities and Electronic Properties of α-Graphyne and Its Boron Nitride Analogue

作者: V Ongun Özçelik , S Ciraci , None

DOI: 10.1021/JP3111869

关键词: Molecular dynamicsDirac (software)PhononMolecular physicsBoron nitrideGrapheneAb initioMaterials scienceGraphynePlane wave

摘要: … the graphyne family can lead to interesting electronic applications, and they can be used to construct graphyne-based frameworks and nanotubes. … Electronic band structures of stable α-…

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