DFT-Based Analysis for Oxygen Incorporation Mechanism in Mixed Conducting Perovskites
![Energy (black) and free energy (red) profile for the most probable reaction pathway of oxygen incorporation on the LaMnO3 MnO2 (001) surface termination. The "bottleneck" (rate-determining step) is either the dissociation or the approach of an oxygen vacancy to adsorbed O- before the final incorporation step. From Kuklja et al (2013) with permission](/6276136/original-1518447063.jpg?t=eyJ3aWR0aCI6MjQ2LCJvYmpfaWQiOjYyNzYxMzZ9--995c4831db0e6c906611aa74440b1e6777d6363f)
Energy (black) and free energy (red) profile for the most probable reaction pathway of oxygen incorporation on the LaMnO3 MnO2 (001) surface termination. The "bottleneck" (rate-determining step) is either the dissociation or the approach of an oxygen vacancy to adsorbed O- before the final incorporation step. From Kuklja et al (2013) with permission