Latest publications

Quantum-Chemical DFT Study of Direct and H- and C-Assisted CO Dissociation on the X-Fe5C2 Hägg Carbide , Broos, R.J.P., Zijlstra, B., Filot, I.A.W., Hensen, E.J.M., J. Phys. Chem. C, 2018, 122 (18) , 9929-9938
Transition metal doping of Pd(111) for the NO+CO reaction , Zhang, L., Filot, I.A.W., Su, Y.-Q., Liu, J.-X., Hensen, E.J.M., J. Catal., 2018, 363 , 154-163
Optimum Particle Size for Gold-Catalyzed CO Oxidation , Liu, J.-X., Filot, I.A.W., Su, Y., Zijlstra, B., Hensen, E.J.M., J. Phys. Chem. C, 2018, 122 (5) , 8327-8340

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
Quantum-Chemical DFT Study of Direct and H- and C-Assisted CO Dissociation on the X-Fe5C2 Hägg Carbide , Broos, R.J.P., Zijlstra, B., Filot, I.A.W., Hensen, E.J.M., J. Phys. Chem. C, 2018, 122 (18) , 9929-9938

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