Factors Governing Oxygen Vacancy Formation in Oxide Perovskites - Wexler, Robert B; Gautam, Gopalakrishnan Sai; Stechel, Ellen B; Carter, Emily A (Journal of the American Chemical Society, 2021)
Keywords: 08 HYDROGEN; data collection; defects; density functional theory; dissociation; energy; ENGINEERING; INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; lanthanides; linear models; machine learning; MATERIALS SCIENCE; model validation; oxides; oxygen; perovskites; quantum mechanics; SOLAR ENERGY; solar thermochemical hydrogen production; solid oxide fuel cells; thermodynamics