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Herein, an experimental and density functional theory (DFT) analysis of the composite g-C 3 N 4 /BiVO 4 microflower photocatalysts are comprehensively discussed. A remarkable photoelectrocatalytic solar hydrogen production has been observed for the as-developed photocatalysts, with different loading amounts of g-C 3 N 4 (0.1, 0.4, 0.8, and 1.2 wt %), using lake water without the addition of sacrificial reagents. The 0.8 wt % g-C 3 N 4 /BiVO 4 microflower photocatalyst evinced remarkable photoelectrocatalytic activity of 21.4 mmol/h of hydrogen generated in comparison to other samples with an AQE of 4.27% at 420 nm. In addition, the photocurrent density of 0.8 wt % g-C 3 N 4 /BiVO 4 microflower was 2fold higher than that of pure BiVO 4 . This was attributed to its better crystallinity and optical properties, confirmed from XRD and DR-UV−vis analysis. The DFT analysis further corroborated that the efficient photocharge carrier separation and limited photocharge carrier recombination corresponded to the synergistic effect of the band offset and built-in electric field.

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