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Repairing PBE-Spurious Metallicity for HSE06-Level Screening of 2D Photocatalysts for Green Hydrogen Production
Semilocal PBE calculations can remove viable photocatalysts before screening by labeling narrow-gap semiconductors as metals. We address this failure mode in the Computational 2D Materials Database (C2DB) by combining leakage-aware repair of PBE-spurious metallicity with HSE06--PBE $Δ$-learning. Sta
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