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High entropy alloys in CO2 conversion: towards a fundamental understanding by experimental and computational studies

Guest: Dr. Thomas Mathew, Assistant Professor, Department of Chemistry, St. John’s College (Affiliated to University of Kerala), Kerala, India

Hosted by: Dr. Shiju Raveendran (Catalysis Engineering, University of Amsterdam) and Dr. Bernd Ensing (Computational Chemistry, University of Amsterdam). Total of 3 months

Dr. Thomas Mathew
Dr. Thomas Mathew

CO2 is often considered as a waste; however, in fact it is a potential resource to make profitable products. In this collaborative project between catalysis engineering and computational groups of UvA, we propose to investigate a new type of materials, high entropy alloys (HEA), as CO2 conversion catalysts aided by experimental and computational studies. HEAs have a complex surface which makes it difficult to use them; but at the same time, it can be an advantage- they possess many unique binding site environments, which might act as catalytic sites. There are very little studies on the use of HEAs in CO2 conversion, leading to a lack of knowledge on the fundamental principles governing their activity. In this project, we will try to obtain a first level of understanding in this direction using the experiments as well as computational methods. We expect that such a concerted approach will provide more fundamental knowledge of HEAs in catalysis and will help to design better catalysts not only for CO2 conversion but also for other important chemical conversions.