α-SnWO4 is a good candidate for photoelectrochemical
(PEC) water splitting due to its suitable band position that straddles
the H+/H2 and O2/H2O redox
potentials. However, its poor charge transfer ability results in unsatisfactory
PEC performance. From the view of material design, a nail-like α-SnWO4 array film was constructed by a hydrothermal method assisted
by halogen ions, and the corresponding physical and PEC properties
are discussed. Density functional theory (DFT) calculations were also
performed to help understand the effect of halogen ions (Cl–, F–) on the growth and exposure facet of α-SnWO4 and the underlying mechanism of PEC performance. The existence
of F– decreases the surface energy of the {100}
and {001} facets, directions along which the film has better charge
transfer, and the {001} facet has a lower barrier in the PEC water
oxidation reaction. The α-SnWO4 film photoanode after
facet regulation presents better charge transfer ability, and the
oxygen evolution rate is 0.16 μmol cm–2 h–1. In addition, a 1.9-fold photoresponse current is
obtained during unbiased PEC water splitting.