Oxygen Vacancy Formation in LaCrO3 Based Perovskites
نویسندگان
چکیده
منابع مشابه
High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO3 perovskites
ABO3 perovskites are oxide materials that are used for a variety of applications such as solid oxide fuel cells, piezo-, ferro-electricity and water splitting. Due to their remarkable stability with respect to cation substitution, new compounds for such applications potentially await discovery. In this work, we present an exhaustive dataset of formation energies of 5,329 cubic and distorted per...
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ژورنال
عنوان ژورنال: ECS Proceedings Volumes
سال: 1999
ISSN: 0161-6374,2576-1579
DOI: 10.1149/199919.0666pv