High-Throughput Selection and Experimental Realization of Two New Ce-Based Nitride Perovskites: CeMoN₃ and CeWN₃.

ABSTRACT: Nitride perovskites have only been experimentally realized in very few cases despite the widespread existence and commercial importance of perovskite materials. From oxide perovskites used in ultrasonics to halide perovskites that have revolutionized the photovoltaics industry, the discovery of new perovskite materials has historically impacted a wide number of fields. Here, we add two new perovskites, CeWN₃ and CeMoN₃, to the list of experimentally realized perovskite nitrides using high-throughput computational screening and subsequent high-throughput thin film growth techniques. Candidate compositions are first down-selected using a tolerance factor and then thermochemical stability. A novel competing fluorite-family phase is identified for both material systems, w

SUBMITTER: Sherbondy R 

PROVIDER: S-EPMC9367680 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature