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Data · dataset · 2026

First Experimental Validation of the Revised Bandgap and Exciton-Limited Photocatalytic H<sub>2</sub> Evolution over CeNbO<sub>4</sub>

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The true bandgap of CeNbO<sub>4</sub>, a rare-earth niobate, has long been underestimated by conventional Tauc plot analysis.

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Recent Elliott–Toyozawa exciton modeling revealed an actual bandgap of 3.25 eV and an exciton binding energy of ∼100 meV, shifting the expected absorption from visible to ultraviolet. However, the photocatalytic H<sub>2</sub> evolution performance of CeNbO<sub>4</sub> has remained unexplored, and the photocatalytic consequences of such a strong excitonic effect have never been experimentally tested.

Herein, we report the first systematic study of photocatalytic H<sub>2</sub> production over CeNbO<sub>4</sub> under UV irradiation. Pristine CeNbO<sub>4</sub> exhibits a low H<sub>2</sub> evolution rate of 5.6 μmol/h, consistent with the high exciton binding energy (≫kT at room temperature) that severely limits free carrier generation. Among four noble metal cocatalysts (Pt, Au, Ag, Ru), Pt shows the best promotion effect.

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Optimising Pt loading gives a maximum H<sub>2</sub> evolution rate of 25.7 μmol/h at 4 wt % Pt, four times that of the pristine sample. Photoelectrochemical and photoluminescence measurements confirm that Pt nanoparticles act as electron traps, partially mitigating carrier recombination. This work provides the first baseline data for photocatalytic H<sub>2</sub> evolution over CeNbO<sub>4</sub> and delivers the first experimental validation, from a photocatalytic perspective, of the revised bandgap and exciton-limited behavior of this material.

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