A first-principles study on the electronic and optical properties of a type-II C2N/g-ZnO van der Waals heterostructure

The structural, electronic and optical properties of a new vdW heterostructure, C₂N/g-ZnO, with an intrinsic type-II band alignment and a direct bandgap of 0.89 eV at the Γ point are extensively studied by DFT calculations.