Postdoctoral researcher in computational chemistry from Uppsala in Sweden. Previous postdoc period 2017-2020 in surface chemical physics and corrosion at Stockholm University, Sweden, in the group of professor Lars GM Pettersson. Received PhD degree in chemsitry from KTH Royal Institute of Technology, Sweden, in 2017, under supervision of professor Tore Brinck, MSc in Chemical Science and Engineering from KTH Royal Institute of Technology 2012.
Bachelor of Science, Kungliga Tekniska Hogskolan (2010)
Master of Science, Kungliga Tekniska Hogskolan (2012)
Doctor of Philosophy, Kungliga Tekniska Hogskolan (2017)
MSc, KTH Royal Institute of Technology, Sweden, Chemical Science and Engineering (2012)
Ph.D, KTH Royal Institute of Technology, Sweden, Chemistry (2017)
Current Research and Scholarly Interests
Computational design of nanostructured heterogeneous catalysts through the development of new screening methods based on local reactivity properties and machine learning. Chemical insight combined with an engineering approach.
Trends in oxygenate/hydrocarbon selectivity for electrochemical CO(2) reduction to C2 products.
2022; 13 (1): 1399
The electrochemical conversion of carbon di-/monoxide into commodity chemicals paves a way towards a sustainable society but it also presents one of the great challenges in catalysis. Herein, we present the trends in selectivity towards specific dicarbon oxygenate/hydrocarbon products from carbon monoxide reduction on transition metal catalysts, with special focus on copper. We unveil the distinctive role of electrolyte pH in tuning the dicarbon oxygenate/hydrocarbon selectivity. The understanding is based on density functional theory calculated energetics and microkinetic modeling. We identify the critical reaction steps determining selectivity and relate their transition state energies to two simple descriptors, the carbon and hydroxide binding strengths. The atomistic insight gained enables us to rationalize a number of experimental observations and provides avenues towards the design of selective electrocatalysts for liquid fuel production from carbon di-/monoxide.
View details for DOI 10.1038/s41467-022-29140-8
View details for PubMedID 35302055
- Chemisorbed oxygen or surface oxides steer the selectivity in Pd electrocatalytic propene oxidation observed by operando Pd L-edge X-ray absorption spectroscopy CATALYSIS SCIENCE & TECHNOLOGY 2021; 11 (10): 3347-3352