Perovskite redox materials for energy conversion and production of base chemicals

Research Project, 2026 – 2030

Energy transition and industrial rejuvenation will require new, efficient and environmentally benign processes for energy conversion and production of base chemicals. Here, perovskite redox materials provide unique opportunities. Such materials can be designed to achieve specific oxygen potential, and possibly additional features, at the desired process conditions by substitution of its main building blocks with other elements. New data driven and computational approaches would facilitate the design process greatly. Being able to calculate the properties of new materials prior to their synthesis would be invaluable in the development of new chemical processes. We currently have leading expertise in the development and manufacturing of perovskite redox materials for combustion, gasification, CO2 capture and H2 generation. In this project we will develop new materials capable of synthesizing base chemicals such as CO, C2H4 and C2H4O. To identify feasible material compositions, we will apply an active learning cycle consisting of an advanced generative model whose results are verified via Machine Learning Potentials (MLP) or Density Functional Theory (DFT) calculations. Then, we will synthesize the materials and manufacture particles of 0.1-0.3 mm size. Finally, the particles will be characterized and evaluated in lab. The project will contribute to the advancement of material discovery methods, and to the development of new environmentally benign processes.