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Kozlov, Sergey
Experimental Sciences & Mathematics
Universitat de Barcelona (UB)
Department Departament de Química Inorgànica i Orgànica
Address Facultat de Química - C/ Martí i Franquès, 1-11
Postal code 08028
City Barcelona
Keywords
Research interests
Since 2019 I have been leading the Computational Nanocatalysis group, where I study and develop new multicomponent nanostructured catalysts for societally important chemical reactions. My research area is located at the crossroads between Chemistry, Chemical Engineering, Materials Science, and Nanotechnology and remains substantially underexplored by most computational chemistry groups. Namely, I perform fundamental studies of nanoscale chemical and physical interactions in applied catalysts and use the obtained understanding for the design of new materials for heterogeneous catalysis and electrochemistry. For example, my group showed how the diversity of active sites formed on the interface between Pt and C60 support improves the catalyst activity in electrochemical hydrogen evolution (HER) under alkaline conditions 8 times beyond the limits imposed by the Sabatier volcano. Currently, we are applying this highly transferable strategy to computationally design highly active thermal and electrochemical catalysts for other reactions. The H2 produced in HER can be used as an energy carrier (SDG 7: Affordable and Clean Energy) or for CO2 hydrogenation (SGD 13: Climate Action). Currently, I lead a funded project with 5 co-PIs, where we filed two patent applications on new selective catalysts for CO2 hydrogenation into higher alcohols or sustainable aviation fuels. Alternatively, green H2 can be used for ammonia and fertilizer production (SGD 2: Zero Hunger). Recently, my group has designed an affordable noble-metal-free high entropy alloy catalyst for NH3 synthesis with higher activity than Ru, which is the most active, but highly expensive catalyst for this reaction. The proposed alloy has been synthesized and is under experimental testing. Finally, we have also designed catalysts for low-temperature CO oxidation (SDG 11: Sustainable Cities and Communities) in the form of ZnO films supported on metals, which have also been synthesized and are being tested.
