Latest publications

NEW A quantum-chemical study of the CO dissociation mechanism on low-index Miller planes of theta-Fe 3 C , Broos, R.J.P., Klumpers, B., Zijlstra, B., Filot, I.A.W., Hensen, E.J.M., Catal. Today, 2019, 0 , In press
NEW A theoretical approach to predict stability of supported single-atom catalysts , Su, Y., Wang, Y., Liu, J.X., Filot, I.A.W., Alexopoulos, K., Zhang, L., Muravev, V., Zijlstra, B., Vlachos, D., Hensen, E.J.M., ACS Catal., 2019, 9 , 3289-3297
NEW First-principles based microkinetic modeling of transient kinetics of CO hydrogenation on cobalt catalysts , Zijstra, B., Broos, R., Chen, W., Filot, I.A.W., Hensen, E.J.M., Catal. Today, 2019, 0 (0) , In press

Selected publications

First-Principles-Based Microkinetics Simulations of Synthesis Gas Conversion on a Stepped Rhodium Surface , Filot, I.A.W., Broos, R.J.P., van Rijn, J.P.M., van Heugten, G.J.H.A., van Santen, R.A., Hensen, E.J.M., ACS Catal., 2015, 5 , 5453-5467
Quantum chemistry of the Fischer–Tropsch reaction catalysed by a stepped ruthenium surface , Filot, I.A.W., van Santen, R.A., Hensen, E.J.M., Catal. Sci. Technol., 2014, 4 , 3129-3140
The Optimally Performing Fischer-Tropsch Catalyst , Filot, I.A.W., van Santen, R.A., Hensen, E.J.M., Angew. Chem. Int. Ed., 2014, 53 (47) , 12746–12750
Size and Topological Effects of Rhodium Surfaces, Clusters and Nanoparticles on the Dissociation of CO , Filot, I.A.W., Shetty, S.G., Hensen, E.J.M., van Santen, R.A., J. Phys. Chem. C, 2011, 115 , 14204-14212
NEW A quantum-chemical study of the CO dissociation mechanism on low-index Miller planes of theta-Fe 3 C , Broos, R.J.P., Klumpers, B., Zijlstra, B., Filot, I.A.W., Hensen, E.J.M., Catal. Today, 2019, 0 , In press

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