Defect chemistry and transport in materials with three carriers

(a) Simulated evolution of space-resolved defect concentration profiles after an increase in pH2O for a material with sufficient hole concentration to decouple the proton and oxygen vacancy concentration changes (defect diffusivity ratios Dh. = 100 DOHo. = 104 DVo.. ; colors indicate different times after the pH2O increase). (b) Integral defect concentrations plotted as a function of square root of time; this representation allows one to extract effective hydrogen and oxygen diffusivities DHeff > DOeff for the fast initial reduction and the slower reoxidation processes from the slopes.
Publications:
- D. Poetzsch, R. Merkle, and J. Maier
Solution of the three-carrier problem: A natural explanation for surprising observations Annual Report MPI-FKF 2014
- D. Poetzsch, R. Merkle, and J. Maier
Stoichiometry Variation in Materials with Three Mobile Carriers—Thermodynamics and Transport Kinetics Exemplified for Protons, Oxygen Vacancies, and Holes
Advanced Functional Materials 25(10), 1542–1557 (2015). DOI: 10.1002/adfm.201402212