Abstract
By using the ab initio density-functional theory method, we investigated the charge redistribution of monolayer graphene with ZigZag and/or ArmChair edges upon infrared excitation. The photoinduced charge redistribution is strongly dependent on edge types. The priority of electrons transfer has been revealed by charge density difference. To further investigate the influence of edge types on optical properties, the dielectric constants and absorption coefficient of graphene with various edge types have been calculated. The edge types have a non-negligible influence on optical properties of graphene, and the Zigzag edge graphene owns stronger optical absorption in infrared region. Our results are potentially beneficial for designing graphene nanodevices in the infrared region.
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More From: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
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