  Finding cost-effective and efficient photocatalytic materials able to
catalyse the water splitting reaction under visible light is one of the
greatest challenges in current environmental material science. Despite that
many photocatalysts are already known in the context of green hydrogen
production, strategies to systematically and rationally modify their
optoelectronic properties to achieve desired photocatalytic performance are yet
to be established. Piezoelectric materials react to mechanical stimuli by
adjusting their band gaps and band alignments, thus offering a possible route
to precise photocatalyst design. However, piezo-photocatalysts are relatively
scarce and have been seldom investigated to date. Here, we present a
high-throughput screening of piezo-photocatalytic materials performed over
$\sim 1,000$ bulk piezoelectrics that relies on a simple electrostatic model
and first-principles calculations. A total of $\sim 10$ previously overlooked
binary and tertiary bulk compounds are theoretically identified as highly
promising piezo-photocatalysts due to their appropriate optoelectronic
properties and superb band alignment tunability driven by uniaxial strain.
