[F5-PR11] Slot 11

[F5-PR11-04] Theoretical Insight into CO Oxidation Catalysis of Chromite Spinel MCr₂O₄ (M = Mg, Co, Cu, and Zn): Volcano Plot for Oxygen-vacancy Formation and Catalytic Activity

*Peng Zhao¹, Masahiro Ehara^1,2, Atsushi Satsuma^1,3, Shigeyoshi Sakaki¹ (1. Kyoto Univ. (Japan), 2. Inst. for Molecular Sci. (Japan), 3. Nagoya Univ. (Japan))

Keywords:Chromite Spinel, CO Oxidation, DFT+U, Oxygen Vacancy, Volcano Plot