Peer-reviewed work

Impact of Transition-Metal Doping of Ceria for Stabilization of Pd Single Atoms for Low-Temperature CO Oxidation. details Li, M.; Su, Y.; Filot, I.A.W.; Hensen, E.J.M. ACS Catal. 2026, 16 (10), 9163-9179.

Neural-network analysis of CO adlayer structures and lateral interactions on transition metal surfaces. details Klumpers, B.; Hensen, E.J.M; Filot, I.A.W. AI for Science 2026, 2 (2), 025001.

Correlating Vibrational Spectra to C1 Surface Species on Nickel-Based Hydrogenation Catalysts Using Density Functional Theory. details Sterk, E.B.; Kappé, B.T.; Monai, M.; Louwen, J.N.; Vogt, E.T.C.; Filot, I.A.W.; Weckhuysen B.M. Chem. Eur. J. 2026, 4 (4), e202500338.

Microkinetics of CO2 hydrogenation to methanol on In2O3-supported Ni-In clusters. details Cannizzaro, F.; Klumpers, B.; Filot, I.A.W.; Hensen, E.J.M. Appl. Catal. B 2026, 384, 126238.

Catalytic In Situ Acetalization Strategy for High-Yield Synthesis of C4- and C2-Carbohydrate Derivatives from Glucose. details Osuga, R.; Bhat, N. S.; Shi, Q.; Shibayama, N.; Yabushita, M.; Suganuma, S.; Taniguchi, H.; Tada, M.; Kato, H.; Zhang, L.; Filot, I.A.W.; Hensen, E. J. M.; Nakajima, K. ACS Catal. 2025, 16 (2), 1675-1683.

PyQInt: A Teaching-Oriented Hartree–Fock Implementation in Python. details Filot, I.A.W. JOSE 2025, 8 (94), 286.

A hybrid machine learning and DFT-informed microkinetic model for ammonia decomposition on Ru/Al2O3. details Sahin, Z.E.; Emmery, D.P.; Cechetto, V.; Pase, L.; Gazzani, M.; Filot, I.A.W.; Gallucci, F. Chem. Eng. J. 2025, 525 (1), 169993.

The Intricacies of Computational Electrochemistry. details Govindarajan, N.; Kastlunger, G.; Gauthier, J.; Cheng, J.; Filot, I.A.W.; Hagopian, A.; Hansen, H.; Huang, J.; Kowalski, P.; Liu, J.; Lombardi, J.; Maraschin, M.; Peterson, A.; Pillai, H.; Prats, H.; Price, C. J.; van Roij, R.; Rossmeisl, J.; Seemakurthi, R. R.; Shin, S.-J.; Smith, A.; Zhu, J.-X.; Doblhoff-Dier, K. ACS Energy Lett. 2025, 10 (9), 4277–4288.

A Combined Density Functional Theory and Microkinetics Simulation Study of Electrochemical CO2 Reduction on Ceria-Supported Bismuth. details Liu, Z.; Klumpers, B.; Filot, I.A.W.; Hensen, E.J.M. ACS Catal. 2025, 15 (14), 12527−12540.

The nature of K promotion of χ-Fe5C2 for high chain-growth probability in the Fischer–Tropsch reaction. details Ren, X.; Men, Z.; Wang, P.; Filot, I.A.W.; Hensen, E.J.M. Appl. Catal. B 2025, 374, 125403.

A computational study of K promotion of CO dissociation on Hägg carbide. details Ren, X.; Krösschell, R.D.E.; Men, Z.; Wang, P.; Filot, I.A.W.; Hensen, E.J.M. Catal. Sci. Technol. 2025 (11), 3262–3274.

Unveiling the Au-Mn-Cu synergy in Au/LaMnCuO3 catalysts for selective ethanol oxidation. details Wang, J.; Chen, L.; Yue, L.; Filot, I.A.W.; Hensen, E.J.M.; Liu, P. Chin. J. Catal. 2025, 75, 34-48.

A Theoretical Study of the Role of K on the Reverse Water-Gas Shift Reaction on Hägg Carbide. details Ren, X.; Krösschell, R.D.E.; Men, Z.; Wang, P.; Filot, I.A.W.; Hensen, E.J.M. J. Catal. 2025, 72, 289–300.

Ortho-functionalized pyridinyl-tetrazines break the inverse correlation between click reactivity and cleavage yields in click-to-release chemistry. details Versteegen, R.M.; Rossin, R.; Filot, I.A.W.; Hoeben, F.J.M.; van Onzen, A.H.A.M.; Janssen, H.M.; Robillard, M.S. Comm. Chem. 2024, 7, 302.

Efficient conversion of syngas to linear α-olefins by phase-pure χ-Fe5C2. details Wang, P.; Chiang, F.-K.; Chai, J.; Dugulan, A.I.; Dong, J.; Chen, W.; Broos, R.J.P.; Feng, B.; Song, Y.; Lv, Y.; Lin, Q.; Wang, R.; Filot, I.A.W.; Men, Z.; Hensen, E.J.M. Nature 2024, 635, 102-107.

Multiscale modelling of CO2 hydrogenation of TiO2-supported Ni8 clusters: on the influence of anatase and rutile polymorphs. details Chen, L.; Ye, Y.-Y.; Krösschell, R.D.E.; Hensen, E.J.M.; Filot, I.A.W. Catal. Sci. & Technol. 2024, 14, 6393-6410.

A density functional theory study of the formation of COS from CO and H2S on cesium sulfide. details Ren, X.; Filot, I.A.W.; Hensen, E.J.M. J. Catal. 2024, 438, 115791.

Chirality-Induced Magnetic Polarization by Charge Localization in a Chiral Supramolecular Crystal. details Verhage, M.; Bampoulis, P.; Preuss, M.D.; Filot, I.A.W.; Joosten, R.R.M.; Friedrich, H.; Meijer, E.W.; Flipse, K. Adv. Mater. 2024, 36 (41), 2403807.

Transferable, Living Data Sets for Predicting Global Minimum Energy Nanocluster Geometries. details Klumpers, B.; Hensen, E.J.M.; Filot, I.A.W. JCTC 2024, 20 (15), 6801-6812.

Unravelling CO Activation on Flat and Stepped Co Surfaces: A Molecular Orbital Analysis. details Krösschell, R.D.E.; Hensen, E.J.M.; Filot, I.A.W. J. Phys. Chem. C 2024, 128 (22), 8947-8960.

A combined density functional theory and microkinetics simulations study of electrochemical CO2 reduction on Cu8/SnO2(110): The crucial role of hydrogen coverage. details Liu, Z.; Krösschell, R.D.E.; Filot, I.A.W.; Hensen, E.J.M. Electrochimica Acta. 2024, 493, 144409.

Descriptor for C2N-Supported Single-Cluster Catalysts in Bifunctional Oxygen Evolution and Reduction Reactions. details Pan, J.; Li, M.; Filot, I.A.W.; Wang, H.; Hensen, E.J.M.; Zhang, L. J. Phys. Lett. 2024, 15 (7), 2066-2074.

Computational study of CO2 methanation on Ru/CeO2 model surfaces: On the impact of Ru doping in CeO2. details Chen, L.; Filot, I.A.W.; Hensen, E.J.M. ACS Catal. 2023, 13 (23), 15230-15247.

Direct coupling of microkinetic and reactor models using neural networks. details Klumpers. B.; Luijten, T.; Gerritse, S.; Hensen, E.J.M.; Filot, I.A.W. Chem. Eng. J. 2023, 475, 145538.

Elucidation of the Reverse Water-Gas Shift Reaction Mechanism over an Isolated Ru Atom on CeO2(111). details Chen, L.; Filot, I.A.W.; Hensen, E.J.M. J. Phys. Chem. C 2023, 127 (41), 20314-20324.

Bramble: adaptive common neighbor analysis (CNA) for the recognition of surface topologies in nanoparticles. details Filot, I.A.W., van Etten, M.P.C., Trommelen, D.W.J.G., Hensen, E.J.M. JOSS 2023, 8 (89), 5710.

Effect of reaction atmosphere on catalytic CO oxidation over Cu-based bimetallic nanoclusters on a CeO2 support. details Zhang, L.; Pan. J.; Li, M.; Filot, I.A.W.; Hensen, E.J.M.; Wang, H. Phys. Rev. Appl. 2023, 20, 034051.

A Computational Study of Electrochemical CO2 reduction to formic acid on Metal-Doped SnO2. details Liu, Z.; Zong, X.; Vlachos, D.G.; Filot, I.A.W.; Hensen, E.J.M. Chin. J. Catal. 2023, 50, 249-259.

Unravelling the Role of Metal-Support Interactions on the Structure Sensitivity of Fischer-Tropsch Synthesis. details van Etten, M.P.C.; de Laat, M.E.; Hensen, E.J.M.; Filot, I.A.W. J. Phys. Chem. C 2023, 127 (31), 15148–15156.

A computational study of CO2 hydrogenation on single atoms of Pt, Pd, Ni and Rh on In2O3(111). details Cannizzaro, F.; Kurstjens, S.; van den Berg, T.; Hensen, E.J.M.; Filot, I.A.W. Catal. Sci. Technol. 2023, 13, 4701-4715.

EDP: a program for projecting electron densities from VASP onto planes. details Filot, I.A.W. JOSS 2023, 8 (87), 5417.

The Promoting Role of Ni on In2O3 for CO2 Hydrogenation to Methanol. details Cannizzaro, F.; Hensen, E.J.M.; Filot, I.A.W. ACS Catal. 2023, 13 (3), 1875-1892.

Near Unity Electrochemical CO2 to CO Conversion over Sn-doped Copper Oxide Nanoparticles. details Yang, S.; Liu, Z.; An, H,; Arnouts, S.; de Ruiter, J.; Rollier, F.; Bals, S.; Atlantzis, T.; Costa Figueiredo, M.; Filot, I.A.W., Hensen, E.J.M.; Weckhuysen, B.M.; van der Stam, W. ACS Catal. 2022, 12 (24), 15146-15156.

Structure Sensitivity of CO2 Conversion over Nickel Metal Nanoparticles Explained by Micro-Kinetics Simulations. details Sterk, E.B.; Nieuwelink, A.E.; Monai, M.; Louwen, J.N.; Vogt, E.T.C.; Filot, I.A.W.; Weckhuysen, B.M. JACS Au 2022, 2 (12), 2714-2730.

What Happens at Surfaces and Grain Boundaries of Halide Perovskites: Insights from Reactive Molecular Dynamics Simulations of CsPbI3. details Pols, M.; Hilpert, T.; Filot, I.A.W.; van Duin, A.C.T.; Calero, S.; Tao, S. ACS Appl. Mater. Interfaces 2022, 14 (36), 40841-40850.

Lateral Interactions of Dynamic Adlayer Structures from Artificial Neural Networks. details Klumpers, B.; Hensen, E.J.M.; Filot, I.A.W. J. Phys. Chem. C 2022, 126 (12), 5529-5540.

On the Potential of Gallium-and Indium-Based Liquid Metal Membranes for Hydrogen Separation. details Rosseau, L.R.S.; Medrano, J.; Bhardwaj, R.; Goetheer, E.L.V.; Filot, I.A.W.; Gallucci, F.; van Sint Annaland, M. Membranes 2022, 12 (1), 75.

Ni-In Synergy in CO2 Hydrogenation to Methanol. details Zhu, J.; Cannizzaro, F.; Liu, Z.; Zhang, H.; Kosinov, N.A.; Filot, I.A.W.; Rabeah, J.; Brückner, A.; Hensen, E.J.M. ACS Catal. 2021, 11 (18), 11371-11384.

Enumerating active sites on metal nanoparticles: Understanding the size dependence of cobalt particles for CO dissociation. details van Etten, M.P.C.; Zijlstra, B.; Hensen, E.J.M.; Filot, I.A.W. ACS Catal. 2021, 11 (14), 8484-8492.

Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI3: A Reactive Force Field Molecular Dynamics Study. details Pols, M.; Vicent-Luna, J.M.; Filot, I.A.W.; van Duin, A.C.T.; Tao, S. J. Phys. Chem. Lett. 2021, 12 (23), 5519-5525.

Consequences of Amide Connectivity in the Supramolecular Polymerization of Porphyrins: Spectroscopic Observations Rationalized by Theoretical Modelling. details Weyandt, E.; Filot, I.A.W.; Vantomme, G.; Meijer, E.W. Chem. Eur. J. 2021, 27 (37), 9700-9707.

Improved Pd/CeO2 Catalysts for Low-Temperature NO Reduction: Activation of CeO2 Lattice Oxygen by Fe Doping. details Zhang, L.; Spezzati, G.; Muravev, V.; Verheijen, M.A.; Zijlstra, B.; Filot, I.A.W.; Su, Y.-Q.; Chang, M.W.; Hensen, E.J.M. ACS Catal. 2021, 11 (9), 5614-5627.

Dynamics of gold clusters on ceria during CO oxidation. details Chang, M.W.; Zhang, L.; Davids, M.R.; Filot, I.A.W.; Hensen, E.J.M. J. Catal. 2020, 392, 39-47.

Stability of heterogeneous single-atom catalysts: a scaling law mapping thermodynamics to kinetics. details Su, Y.Q.; Zhang, L.; Wang, Y.; Liu, J.X.; Muravev, V.; Alexopoulos, K.; Filot, I.A.W.; Vlachos, D.G.; Hensen, E.J.M. Npj Comput. Mater. 2020, 6, 144.

A theoretical study of CO oxidation and O2 activation for transition metal overlayers on SrTiO3 perovskite. details Zhang, L.; Chang, M.W.; Su, Y.Q.; Filot, I.A.W.; Hensen, E.J.M. J. Catal. 2020, 391, 229-240.

Detailed chemomechanistic sensitivity study on the alkoxylation of fatty amines. details Müller, P.; van Eeten, K.; Winkenwerder, W.; van der Schaaf, J.; Filot, I.A.W. Int. J. Chem. Kinet. 2020, 52 (11), 861-871.

The vital role of step-edge sites for both CO activation and chain growth on cobalt Fischer-Tropsch catalysts revealed through first-principles based microkinetic modeling including lateral interactions. details Zijlstra, B.; Broos, R.J.P.; Chen, W.; Bezemer, G.J.; Filot, I.A.W.; Hensen, E.J.M. ACS Catal. 2020, 10 (16), 9376-9400.

Design of Nonideal Eutectic Mixtures Based on Correlations with Molecular Properties. details Kollau, L.J.B.M.; Tuinier, R.; Verhaak, J.; Den Doelder, J.; Filot, I.A.W.; Vis, M. J. Phys. Chem. B 2020, 124 (25), 5209-5219.

Bioorthogonal Tetrazine Carbamate Cleavage by Highly Reactive trans-Cyclooctene. details van Onzen, A.H.A.M.; Versteegen, R.M.; Hoeben, F.J.M.; Filot, I.A.W.; Rossin, R.; Zhu, T.; Wu, J.; Hudson, P.J.; Janssen, H.M.; Ten Hoeve, W.; Robillard, M.S. J. Chem. Am. Soc. 2020, 142 (25), 10955-10963.

A theoretical study of the reverse water-gas shift reaction on Ni(111) and Ni(311) surfaces. details Zhang, M.; Zijlstra, B.; Filot, I.A.W.; Li, F.; Wang, H.; Li, J.; Hensen, E.J.M. Can. J. Chem. Eng. 2020, 98, 740-748.

First-principles microkinetics simulations of electrochemical reduction of CO2 over Cu catalysts. details Zijlstra, B.; Zhang, X.; Liu, J.-X.; Filot, I.A.W.; Zhou, Z.; Sun, S.; Hensen, E.J.M. Electrochimica Acta. 2020, 335, 135665.

A quantum-chemical study of the CO dissociation mechanism on low-index Miller planes of theta-Fe 3 C. details Broos, R.J.P.; Klumpers, B.; Zijlstra, B.; Filot, I.A.W.; Hensen, E.J.M. Catal. Today 2020, 342, 152-160.

First-principles based microkinetic modeling of transient kinetics of CO hydrogenation on cobalt catalysts. details Zijlstra, B.; Broos, R.J.P.; Chen, W.; Filot, I.A.W.; Hensen, E.J.M. Catal. Today 2020, 342, 131-141.

Linear activation energy-reaction energy relations for LaBO3 (B = Mn, Fe, Co, Ni) supported single-atom platinum group metal catalysts for CO oxidation. details Zhang, L.; Su, Y-Q.; Chang, M-W.; Filot, I.A.W.; Hensen, E.J.M. J. Phys. Chem. C 2019, 123 (51), 31130-31141.

Understanding carbon dioxide activation and carbon–carbon coupling over nickel. details Vogt, C.; Monai, M.; Sterk, E.B.; Palle, J.; Melcherts, A.E.M.; Zijltra, B.; Groeneveld, S.; Berben, P.H.; Boereboom, J.M.; Hensen, E.J.M.; Meirer, F.; Filot, I.A.W.; Weckhuysen, B.M. Nature Comm. 2019, 10, 5330.

A theoretical study of the reverse water-gas shift reaction on Ni(111) and Ni(311) surfaces. details Zhang, M.; Zijlstra, B.; Filot, I.A.W.; Li, F.; Wang, H.; Li, J.; Hensen, E.J.M. Can. J. Chem. Eng. 2019, 98 (3), 740-748.

Supramolecular interactions between catalytic species allow rational control over reaction kinetics. details Teunissen, A.J.P.; Paffen, T.F.E.; Filot, I.A.W.; Lanting, M.D.; van der Haas, R.J.C.; de Greef, T.F.A.; Meijer, E.W. Chem. Sci. 2019, 10, 9115-9124.

Efficient Base-Metal NiMn/TiO2 Catalyst for CO2 Methanation. details Vrijburg, W.L.; Moioli, E.; Chen, W.; Zhang, M.; Terlingen, B.J.P.; Zijlstra, B.; Filot, I.A.W.; Zuttel, A.; Pidko, E.A.; Hensen, E.J.M. ACS Catal. 2019, 9 (9), 7823-7839.

Coverage Effects in CO Dissociation on Metallic Cobalt Nanoparticles. details Zijlstra, B.; Broos, R.J.P.; Chen, W.; Oosterbeek, H.; Filot, I.A.W.; Hensen, E.J.M. ACS Catal. 2019, 9 (8), 7365-7372.

Understanding the impact of defects on catalytic CO oxidation of LaFeO3Supported Rh, Pd and Pt single atom catalysts. details Zhang, L.; Filot, I.A.W.; Su, Y.-Q..; Liu, J.X.; Hensen, E.J.M. J. Phys. Chem. C 2019, 123 (12), 7290-7298.

Theoretical approach to predict stability of supported single-atom catalysts. details 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 (4), 3289-3297.

Quantum-chemical-based microkinetics simulations of syngas conversion over MoS2(100) surface. details Fariduddin, F.; Filot, I.A.W.; Zijlstra, B.; Hensen, E.J.M. Chemical Engineering Science 2019, 198, 166-183.

Reversible Restructuring of Silver Particles during Ethylene Epoxidation. details van Hoof, A.J.F.; Filot, I.A.W.; Friedrich, H.; Hensen, E.J.M. ACS Catal. 2018, 8 (12), 11794-11800.

Highly active and stable CH4 oxidation by substitution of Ce4+ by two Pd2+ ions in CeO2(111). details Su, Y.; Liu, J.; Filot, I.A.W.; Zhang, L.; Hensen, E.J.M. ACS Catal. 2018, 8 (7), 6552-6559.

Potential enthalpic energy of water in oils exploited to control supramolecular structure. details van Zee, N.J.; Adelizzi, B.; Mabesoone, M.F.J.; Meng, X.; Aloi, A.; Zha, R.H.; Lutz, M.; Filot, I.A.W.; Palmans, A.R.A.; Meijer, E.W. Nature 2018, 558 (7708), 100-103.

Transition metal doping of Pd(111) for the NO+CO reaction. details 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. details Liu, J.-X.; Filot, I.A.W.; Su, Y.; Zijlstra, B.; Hensen, E.J.M. J. Phys. Chem. C 2018, 122 (5), 8327-8340.

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

A Linear Scaling Relation for CO Oxidation on CeO2-Supported Pd. details Liu, J.-X.; Su, Y.; Filot, I.A.W.; Hensen, E.J.M. J. Am. Chem. Soc. 2018, 140 (13), 4580-4587.

An active alkali-exchanged faujasite catalyst for para-xylene production via the one-pot Diels-Alder cycloaddition/dehydration reaction of 2,5-dimethylfuran with ethylene. details Rohling, R.; Uslamin, E.A.; Zijlstra, B.; Tranca, I.; Filot, I.A.W.; Hensen, E.J.M.; Pidko, E.A. ACS Catal. 2018, 8 (2), 760-769.

Stable Pd-Doped Ceria Structures for CH4 Activation and CO Oxidation. details Su, Y.-Q.; Filot, I.A.W.; Liu, J.-X.; Hensen, E.J.M. ACS Catal. 2018, 8 (1), 75-80.

Optimum Cu Nanoparticle Catalysts for CO2 Hydrogenation Towards Methanol. details Zhang, X.; Liu, J.-X.; Zijlstra, B.; Filot, I.A.W.; Zhou, Z.; Sun, S.; Hensen, E.J.M. Nano Energy 2018, 43, 200-209.

Mechanism of Carbon Monoxide Dissociation on a Cobalt Fischer-Tropsch Catalyst. details Chen, W.; Zijlstra, B.; Filot, I.A.W.; Pestman, R.; Hensen, E.J.M. ChemCatChem 2018, 10 (1), 136-140.

Mechanism of Cobalt-Catalyzed CO Hydrogenation: 2. Fischer–Tropsch Synthesis. details Chen, W.; Filot, I.A.W.; Pestman, R.; Hensen, E.J.M. ACS Catal. 2017, 7 (12), 8061-8071.

Mechanism of Cobalt-Catalyzed CO Hydrogenation: 1. Methanation. details Chen, W.; Pestman, R.; Zijlstra, B.; Filot, I.A.W.; Hensen E.J.M. ACS Catal. 2017, 7 (12), 8050–8060.

Theoretical Study of Ripening Mechanisms of Pd Clusters on Ceria. details Su, Y.-Q.; Liu, J.-X.; Filot, I.A.W.; Hensen, E.J.M. Chem. Mater. 2017, 29 (21), 9456–9462.

Unravelling the Pathway Complexity in Conformationally Flexible N-Centered Triarylamine Trisamides. details Adelizzi, B.; Filot, I.A.W.; Palmans, A.R.A.; Meijer, E.W. Chem. Eur. J. 2017, 23 (25), 6103-6110.

CO oxidation on Rh-doped hexadecagold clusters. details Liu, J.-X.; Zhiling L.; Filot, I.A.W.; Su, Y.; Tranca, I.; Hensen, E.J.M. Catal. Sci. Technol. 2017, 7 (1), 75-78.

Kinetic aspects of chain growth in Fischer-Tropsch synthesis. details Filot, I.A.W.; Zijlstra, B.; Broos, R.J.P.; Chen, W.; Pestman, R.; Hensen, E.J.M. Faraday Discuss. 2017, 197, 153-164.

Charge Transport over the Defective CeO2(111) Surface. details Su, Y.-Q.; Filot, I.A.W.; Liu, J.-X.; Tranca, I.; Hensen, E.J.M. Chem. Mater. 2016, 28 (16), 5652–5658.

Identification of step-edge sites on Rh nanoparticles for facile CO dissociation. details Ligthart, D.A.J.M.; Filot, I.A.W.; Almutairi, A.A.H.; Hensen, E.J.M. Catalysis Communications 2016, 77, 5-8.

A quantum-chemical DFT study of CO dissociation on Fe-promoted stepped Rh surfaces. details Filot, I.A.W.; Fariduddin, F.; Broos, R.J.P.; Zijlstra, B.; Hensen, E.J.M. Catal. Today 2015, 275, 111–118.

First-Principles-Based Microkinetics Simulations of Synthesis Gas Conversion on a Stepped Rhodium Surface. details 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.

Microkinetic Modeling of the Oxygen Reduction Reaction at the Pt(111)/Gas Interface. details Donato, F.; Zhu, T.; Mueller, J.E.; Filot, I.A.W.; Hensen, E.J.M.; Jacob, T. Catal. Lett. 2015, 145 (1), 451-457.

The Optimally Performing Fischer-Tropsch Catalyst. details Filot, I.A.W.; van Santen, R.A.; Hensen, E.J.M. Angew. Chem. Int. Ed. 2014, 53 (47), 12746–12750.

Quantum chemistry of the Fischer–Tropsch reaction catalysed by a stepped ruthenium surface. details Filot, I.A.W.; van Santen, R.A.; Hensen, E.J.M. Catal. Sci. Technol. 2014, 4, 3129-3140.

Correlating Fischer-Tropsch activity to Ru nanoparticle surface structure as probed by high-energy X-ray diffraction. details Quek, X.Y.; Filot, I.A.W.; Pestman, R.; van Santen, R.A.; Petkov, V.; Hensen, E.J.M. Chem. Comm. 2014, 50 (45), 6005-6008.

Reactivity of CO on Carbon-Covered Cobalt Surfaces in Fischer-Tropsch Synthesis. details Joos, L.; Filot, I.A.W.; Cottenier, S.; Hensen, E.J.M.; Waroquier, M.; van Speybroeck, V.; van Santen, R.A. J. Phys. Chem. C 2014, 118 (10), 5317-5327.

Development of a benzimidazole-derived bidentate P,N-ligand for enantioselective iridium-catalyzed hydrogenations. details Weemers, J.J.M.; Sypaseuth, F.D.; Bäuerlein, P.S.; van der Graaff, W.N.P.; Filot, I.A.W.; Lutz, M.; Müller, C. Eur. J. Org. Chem. 2014, 2, 350-362.

Conformational Analysis of Chiral Supramolecular Aggregates: Modeling the Subtle Difference between Hydrogen and Deuterium. details Nakano, Y.; Markvoort, A.J.; Cantekin, S.; Filot, I.A.W.; ten Eikelder, H.M.M.; Meijer, E.W.; Palmans, A.R.A. J. Am. Chem. Soc. 2013, 135 (44), 16497-16506.

Catalytic properties of extraframework iron-containing species in ZSM-5 for N2O decomposition. details Li, G.; Pidko, E.A.; Filot, I.A.W.; van Santen, R.A.; Li, C.; Hensen, E.J.M. J. Catal. 2013, 308, 386-397.

Mechanism and microkinetics of the Fischer-Tropsch reaction. details van Santen, R.A.; Markvoort, A.J.; Filot, I.A.W.; Ghouri, M.M. and Hensen, E.J.M. Phys. Chem. Chem. Phys. 2013, 15 (40), 17038-17063.

Self-healing systems based on disulfide-thiol exchange reactions. details Pepels, M.P.F.; Filot, I.A.W.; Klumperman, L.; Goossens, J.G.P. Pol. Chem. 2013, 4 (18), 4955-4965.

Microkinetics of steam methane reforming on platinum and rhodium metal surfaces. details Zhu, T.; van Grootel, P.W.; Filot, I.A.W.; Sun, S-G.; van Santen, R.A.; Hensen, E.J.M. J. Catal. 2013, 297, 227-235.

The origin of isotope-induced helical-sense bias in supramolecular polymers of benzene-1,3,5-tricarboxamides. details Filot, I.A.W.; Palmans, A.R.A.; Hilbers, P.A.J.; Hensen, E.J.M.; de Greef, T.F.A.; Pidko, E.A. Phys. Chem. Chem. Phys. 2012, 14, 13997-14002.

Cooperative Two-Component Self-Assembly of Mono- And Ditopic Monomers. details Smulders, M.M.J.; Nieuwenhuizen, M.M.L.; Grossman, M.; Filot, I.A.W.; Lee, C.C.; de Greef, T.F.A.; Schenning, A.P.H.J.; Palmans, A.R.A.; Meijer, E.W. Macromolecules 2011, 44 (16), 6581-6587.

Size and Topological Effects of Rhodium Surfaces, Clusters and Nanoparticles on the Dissociation of CO. details Filot, I.A.W.; Shetty, S.G.; Hensen, E.J.M.; van Santen, R.A. J. Phys. Chem. C 2011, 115 (29), 14204-14212.

Understanding Cooperativity in Hydrogen-Bond-Induced Supramolecular Polymerization: A Density Functional Theory Study. details Filot, I.A.W.; Palmans, A.R.A.; Hilbers, P.A.J, van Santen, R.A.; Pidko, E.A.; de Greef, T.F.A. J. Phys. Chem. B 2010, 114 (43), 13667-13674.

Dynamic Supramolecular Polymers Based on Benzene-1,3,5-tricarboxamides: The Influence of Amide Connectivity on Aggregate Stability and Amplification of Chirality. details Stals, P.J.M.; Everts, J.C.; de Bruijn, R.; Filot, I.A.W.; Smulders, M.M.J.; Martín-Rapún, R.; Pidko, E.A.; de Greef, T.F.A.; Palmans, A.R.A.; Meijer, E.W. Chem. Eur. J. 2010, 16, 810-821.

Tuning the Extent of Chiral Amplification by Temperature in a Dynamic Supramolecular Polymer. details Smulders, M.M.J.; Filot, I.A.W.; Leender, J.M.A.; van der Schoot, P.; Palmans, A.R.A.; Schenning, A.P.H.J.; Meijer, E.W. J. Am. Chem. Soc. 2010, 132 (2), 611-619.