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Phagraphene, a new carbon allotrope, was proposed recently. We here select a mixed-edge phagraphene ribbon to study B-, N-, and BN-doping effects respectively on the geometric stability, electronic structure, carrier mobility, and device property. Calculations show that the energetic and thermal stability for these ribbons are very high. With different doping types and doping sites, the bandgap size...
We performed first-principles simulation on the electronic structure of zigzag silicene nanoribbons (ZSiNRs), and found that semi-hydrogenation can break the extended π-bonding network of silicene, leaving the electrons in the unsaturated Si atoms localized and unpaired, and ferromagnetic semiconducting behavior can be obtained. While the fully hydrogenated ZSiNRs are found to be energetically degenerate...
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