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Hybrid density functional theory (DFT) calculations were performed on the monoclinic clinobisvanite polymorph of bismuth vanadate (BiVO 4 ), which has piqued experimental and theoretical interest in recent years due to its photo-active nature. In particular, the effect of using PBEsol and HSE06–PBEsol functional, as corrected for the solid state, is gauged upon the predictive performance for...
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