  The high recombination rate of photogenerated carriers is the bottleneck of
photocatalysis, severely limiting the photocatalytic efficiency. Here, we
develop a dipole-scheme (D-scheme for short) photocatalytic model and materials
realization. The D-scheme heterojunction not only can effectively separate
electrons and holes by a large polarization field, but also boosts
photocatalytic redox reactions with large driving photovoltages and without any
carrier loss. By means of first-principles and GW calculations, we propose a
D-scheme heterojunction prototype with two real polar materials, PtSeTe/LiGaS2.
This D-scheme photocatalyst exhibits a high capability of the photogenerated
carrier separation and near-infrared light absorption. Moreover, our
calculations of the Gibbs free energy imply a high ability of the hydrogen and
oxygen evolution reaction by a large driving force. The proposed D-scheme
photocatalytic model is generalized and paves a valuable route of significantly
improving the photocatalytic efficiency.
