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The band structure of sh-BN with (a) PBE functional and (b) HSE06 functional.The position of the reduction level for H+ to H2 and the oxidation potential of H2O to O2 is indicated by the blue dashed line. The Fermi Level is set to zero. (c) The charge distribution of VB (the lower part) and CB (the upper part) with isovalue 0.03 e/Å3.
