Chacón-García, Antonio J.Baldovi, Herme G.Pols, MikeTao, ShuxiaCalero, SofiaNavalón, SergioVitorica-Yrezabal, Iñigo J.Rodríguez-Diéguez, AntonioGarcía, HermenegildoHorcajada, PatriciaPérez, Yolanda2024-09-242024-09-242024-06-23Chacón-García, A.J., Baldovi, H.G., Pols, M., Tao, S., Calero, S., Navalón, S., Vitorica-Yrezabal, I.J., Rodríguez-Diéguez, A., García, H., Horcajada, P. and Pérez, Y. (2024), Improving the Water Resistance of Bi-Based Perovskite-Inspired Materials for Vapor-Phase Photocatalytic Overall Water Splitting. Sol. RRL, 8: 2400250. https://doi.org/10.1002/solr.2024002502367-198X (online)https://hdl.handle.net/10115/39769Lead halide perovskites are well known for their exceptional photophysical and electronic properties, which have placed them at the forefront of challenging optoelectronic applications and solar-to-fuel conversion. However, their air/water instability, combined with their toxicity, is still a critical problem that has slowed down their commercialization. In this sense, bismuth-based halide derivatives attract much interest as a potentially safer, air-stable alternative. Herein, a novel Bi-based perovskite-inspired material, IEF-19 (IEF stands for IMDEA Energy Framework), which contains a bulky aromatic cation (1,5-diammonium naphthalene), is prepared. Additionally, an N-alkylation strategy is successfully employed to achieve four water-stable perovskite-inspired materials, which contains diammonium naphthalene cations that are tetra-alkylated by methyl, ethyl, propyl, and butyl groups. Moreover, computational studies are performed to gain a deeper understanding of the intrinsic structural stability and affinity of water molecules for Bi-based perovskite-inspired materials. Importantly, the air- and water-stable IEF-19-Et (i.e., stable at least 12 months under ambient conditions and 3 weeks in contact with water) is found to be an active photocatalyst for vapor-phase overall water splitting in the absence of any sacrificial agent under both ultraviolet–visible or simulated sunlight irradiation. This material exhibits an estimated apparent quantum yield of 0.08% at 400 nm, partially explained by its adequate energy band level diagramengAtribución 4.0 Internacionalhttp://creativecommons.org/licenses/by/4.0/info:eu-repo/semantics/article10.1002/solr.202400250info:eu-repo/semantics/openAccess