Design Principles for Metal Oxide Redox Materials for Solar-Driven Isothermal Fuel Production.

ABSTRACT: The performance of metal oxides as redox materials is limited by their oxygen conductivity and thermochemical stability. Predicting these properties from the electronic structure can support the screening of advanced metal oxides and accelerate their development for clean energy applications. Specifically, reducible metal oxide catalysts and potential redox materials for the solar-thermochemical splitting of CO₂ and H₂O via an isothermal redox cycle are examined. A volcano-type correlation is developed from available experimental data and density functional theory. It is found that the energy of the oxygen-vacancy formation at the most stable surfaces of TiO₂, Ti₂O₃, Cu₂O, ZnO, ZrO₂, MoO₃, Ag₂

SUBMITTER: Michalsky R 

PROVIDER: S-EPMC4730922 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature