As a single atom Pd outperforms Pt as the most active co-catalyst for photocatalytic H2 evolution

Here, we evaluate three different noble metal co-catalysts (Pd, Pt, and Au) that are present as single atoms (SAs) on the classic benchmark photocatalyst, TiO2. To trap the single atoms on the surface, we introduced controlled surface vacancies (Ti3+-Ov) on anatase TiO2 nanosheets by a thermal reduction treatment. After anchoring identical loadings of single atoms of Pd, Pt, and Au, we measure the photocatalytic H-2 generation rate and compare it to the classic nanoparticle co-catalysts on the nanosheets. While nanoparticles yield the well-established the hydrogen evolution reaction activity sequence (Pt > Pd > Au), for the single atom form, Pd radically outperforms Pt and Au. Based on density functional theory (DFT), we ascribe this unusual photocatalytic co-catalyst sequence to the nature of the charge localization on the noble metal SAs embedded in the TiO2 surface.

Automated summary

The study evaluates the photocatalytic performance of single atom Pd, Pt, and Au on TiO2 nanosheets. The results show that single atom Pd exhibits better catalytic activity than Pt and Au, attributed to the charge localization nature of noble metal single atoms embedded in the TiO2 surface.