From guesswork to guidance: How machine learning speeds dopant design for water-splitting photocatalysts

MLIP calculations successfully identify suitable dopants for a novel photocatalytic material, report researchers from the Institute of Science Tokyo. As demonstrated in their study, published in the Journal of the American Chemical Society, a materials informatics approach could predict which ions can be stably introduced into orthorhombic Sn3O4, a promising and recently discovered photocatalytic tin oxide.