Mechanistic role of Cu co-catalysts in unassisted photocatalytic CO2 reduction using p-GaN/Al2O3/Au/Cu heterostructures
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DFT-relaxed structures of Cu2O, CuO, and malachite with various surface facets, as well as their heterostructures with Au. It incorporates the DFT relaxed structure (.cif and.json file) used in the paper's title"Mechanistic role of Cu co-catalysts in unassisted photocatalytic CO2 reduction using p-GaN/Al2O3/Au/Cu heterostructures" with VASP 5.4.4 and employs the PBE +U exchange-correlation functional.
创建时间：
2023-11-27
