Perovskite BaTaO₂ N: From Materials Synthesis to Solar Water Splitting

Barium tantalum oxynitride (BaTaO₂ N), as a member of an emerging class of perovskite oxynitrides, is regarded as a promising inorganic material for solar water splitting because of its small band gap, visible light absorption, and suitable band edge potentials for overall water splitting in the absence of an external bias. However, BaTaO₂ N still exhibits poor water-splitting performance that is susceptible to its synthetic history, surface states, recombination process, and instability. This review provides a comprehensive summary of previous progress, current advances, existing challenges, and future perspectives of BaTaO₂ N for solar water splitting. A particular emphasis is given to highlighting the principles of photoelectrochemical (PEC) water splitting, classic and emerging photocatalysts for oxygen evolution reactions, and the crystal and electronic structures, dielectric, ferroelectric, and piezoelectric properties, synthesis routes, and thin-film fabrication of BaTaO₂ N. Various strategies to achieve enhanced water-splitting performance of BaTaO₂ N, such as reducing the surface and bulk defect density, engineering the crystal facets, tailoring the particle morphology, size, and porosity, cation doping, creating the solid solutions, forming the heterostructures and heterojunctions, designing the photoelectrochemical cells, and loading suitable cocatalysts are discussed. Also, the avenues for further investigation and the prospects of using BaTaO₂ N in solar water splitting are presented.