The water-gas shift reaction (WGSR) plays an important role in several chemical processes to produce molecular hydrogen. The WGSR is performed at industrial scale at temperatures between 200°C and 400°C. Although a detailed understanding of the WGSR on various catalysts exists, little is known about the mechanism of photocatalytic WGSR below room temperature. This contribution provides insights into the mechanism of photocatalytic WGSR on oxide surfaces such as TiO<sub>2</sub> and ZnO, through the detection of highly unstable intermediate species and final products. We employ an experimental methodology that combines surface mass spectrometry with a femtosecond pump-probe technique and ultraviolet multiphoton ionization and detection at the surface. Besides the photocatalytic water splitting that leads to the formation of atomic hydrogen, hydroxyl, and hydroperoxyl species, this work will also provide insights into the reactions of these intermediates with CO molecules present at the surface.

Mechanistic understanding of the photocatalytic water-gas shift reaction through the detection of highly unstable intermediate species and final products

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