About the research

The overall goal of the proposed project is to advance the development of sustainable fuel and chemical production. New catalysts will be developed for electrochemical reduction of CO2 to form methanol selectively. We will identify the catalysts by using computer simulations based on density functional theory. We will use a novel model with simple descriptors to computationally search for bimetallic transition metal oxide alloys that are stable, active and selective catalysts for methanol production. The most promising catalysts will be synthesized in the laboratory using thin film sputtering techniques and tested in electrochemical cells. This combined theoretical, synthetic and analytical approach will make it possible to identify efficient electrocatalysts for methanol formation from CO2 and contribute to the development of a carbon-neutral methanol-economy and reduce global warming.

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