Chalmers University of Technology
Perovskite Redox Materials for Renewable Hydrogen Generation
Academic project
PhD
Open
Research questions
i) Is it feasible to use Machine Learning Potentials (MLP) or density functional theory (DFT) calculations to calculate basic thermodynamic data for mixed-oxide materials of single perovskite structure?
ii) Will it be possible to use an active learning cycle to design materials similar to the proven oxygen carrier calcium manganate of single perovskite structure (Ca1-xAxMn1-yByO3-δ), where A and B are substituents of similar ionic radii as Ca and Mn, and where suitable O2 fugacity is achieved for application for H2 generation by the steam-iron principle?
iii) Can the resulting materials be manufactured by established methods, do they achieve the desired redox properties, and do they perform satisfactorily during practical experiments in a small fluidized-bed reactor?
Sustainability aspects
H2 produced from sustainable energy sources is commonly seen as a highly attractive future energy carrier. A reengineered version of the old steam-iron process would allow for efficient H2 generation from biomass and waste-derived fuels, while also providing inherent CO2 capture. In this context, a bed material with improved performance, as compared to those based on common iron oxides, would be highly valuable and facilitate the development work greatly.
Chalmers University of Technology
Magnus Rydén
Associate Professor
magnus.ryden@chalmers.se
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