Water Oxidation on Oxygen-Deficient Barium Titanate: A First-Principles Study

作者: Nina Tymińska , Gang Wu , Michel Dupuis

DOI: 10.1021/ACS.JPCC.6B12425

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摘要: … We present a study of the effects of oxygen vacancies (O vac ) on the oxygen evolution reaction (OER) on the TiO 2 -terminated (001) surface of cubic BaTiO 3 (cBTO-TiO 2 ) using spin-…

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