Efficient photo‐ and piezoelectric‐induced molecular oxygen activation are both achieved by macroscopic polarization enhancement on a noncentrosymmetric piezoelectric semiconductor BiOIO3. The replacement of V5+ ions for I5+ in IO3 polyhedra gives rise to strengthened macroscopic polarization of BiOIO3, which facilitates the charge separation in the photocatalytic and piezoelectric catalytic process, and renders largely promoted photo‐ and piezoelectric induced reactive oxygen species (ROS) evolution, such as superoxide radicals (.O2−) and hydroxyl radicals (.OH). This work advances piezoelectricity as a new route to efficient ROS generation, and also discloses macroscopic polarization engineering on improvement of multi‐responsive catalysis.

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We have studied the electronic properties of 2H-WSe 2 intercalated with Cu using the full-potential linearaugmented plane-wave method as implemented in the WIEN97 code. Intercalating 2H-WSe 2 with Cu changes the electronic behavior from semiconducting to metallic. We present calculations of Cu x WSe 2 for xϭ0.5 and 1.0. The copper-d partial density of states in Cu x WSe 2 is similar to that in pure copper. As in the case of copper, the Cu d bands are flat and lie 2-4 eV below E F . Our calculations show that there is weak hybridization between the Cu states and W and Se states. We have also calculated the frequency-dependent dielectric properties of Cu x WSe 2 with a view to ascertain the effect of copper intercalation on the optical properties.