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Photocatalytic water splitting reaction on TiO2 surface is one of the fundamental issues that bears significant implication in hydrogen energy technology and has been extensively studied. However, the existence of the very first reaction step, the direct photo-dissociation of water, has been disregarded. Here, we provide unambiguously experimental evidence to demonstrate that adsorbed water molecules on reduced rutile TiO2(110)-1times1 surface can be dissociated under UV irradiation using low temperature scanning tunneling microscopy. It is identified that a water molecule at fivefold coordinated Ti (Ti5c) site can be photocatalytically dissociated, resulting in a hydroxyl at Ti5c and another hydroxyl at bridge oxygen row. Our findings reveal a missing link in the photocatalytic water splitting reaction chain, which greatly contribute to the detailed understanding of underlying mechanism.
Converting CO$_2$ to useful compounds through the solar photocatalytic reduction has been one of the most promising strategies for artificial carbon recycling. The highly relevant photocatalytic substrate for CO$_2$ conversion has been the popular Ti
The interaction of water with TiO2 is crucial to many of its practical applications, including photocatalytic water splitting. Following the first demonstration of this phenomenon 40 years ago there have been numerous studies of the rutile single-cry
In this work, second-generation Car-Parrinello-based QM/MM molecular dynamics simulations of small nanoparticles of NbP, NbAs, TaAs and 1T-TaS$_2$ in water are presented. The first three materials are topological Weyl semimetals, which were recently
Gold-decorated TiO$_2$ nanotubes were used for the photocatalytic abatement of Hg(II) in aqueous solutions. The presence of dewetted Au nanoparticles induces a strong enhancement of photocatalytic reduction and scavenging performances, with respect t
In this work, we demonstrate that a well-established and facile ball milling approach using mixtures of commercial anatase nanoparticles and TiH2 introduces noble-metal-free photocatalytic H2 activity to titania. We characterize this synergistic effe