Electronic Structure of Large-Scale Graphene Nanoflakes

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Hu, Wei; Lin, Lin; Yang, Chao; Yang, Jinlong;

With the help of the recently developed SIESTA-PEXSI method [J. Phys.: Condens. Matter \textbf{26}, 305503 (2014)], we perform Kohn-Sham density functional theory (DFT) calculations to study the stability and electronic structure of hexagonal graphene nanoflakes (GNFs) ... View more
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