Design principles of perovskites for solar-driven thermochemical splitting of CO₂.

ABSTRACT: Perovskites are attractive redox materials for thermo/electrochemical fuel synthesis. To design perovskites with balanced redox energetics for thermochemically splitting CO₂, the activity of lattice oxygen vacancies and stability against crystal phase changes and detrimental carbonate formation are predicted for a representative range of perovskites by electronic structure computations. Systematic trends in these materials properties when doping with selected metal cations are described in the free energy range defined for isothermal and temperature-swing redox cycles. To confirm that the predicted materials properties root in the bulk chemical composition, selected perovskites are synthesized and characterized by X-ray diffraction, transmission electron microscopy, and thermogr

SUBMITTER: Ezbiri M 

PROVIDER: S-EPMC5802236 | biostudies-literature | 2017 Aug

REPOSITORIES: biostudies-literature