Photoanodes_BiVO4_CoFe-PB
Modelling of the bismuth vanadate (BiVO4) photocatalyst, CoFe-PB (KCo[Fe(CN)6]) co-catalyst and solvated water, in order to compare the energy levels of the water-splitting system. Different calculations (GGA, GGA+U and Hybrid DFT) were done to compare different magnetic states of CoFe-PB and to find the appropriate hybrid functional.
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Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-50
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-50
This dataset derived results are published in:
Manuscript title: Cobalt Hexacyanoferrate on BiVO4 Photoanodes for Robust Water Splitting
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