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Oxygen nonstoichiometry in (Ca2CoO3)0.62(CoO2): a combined experimental and computational study
(Peer reviewed; Journal article, 2014)The oxygen nonstoichiometry in the misfit calcium cobaltite (Ca2CoO3)0.62(CoO2) has been studied experimentally and by density functional theory (DFT) calculations. The standard oxidation enthalpy ΔH0Ox of oxygen deficient ...