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Research Output

  • 1508 Citations
  • 55 Article
  • 1 Book
  • 1 Chapter
  • 1 Phd Thesis 1 (Research TU/e / Graduation TU/e)
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Article
2020

A quantum-chemical study of the CO dissociation mechanism on low-index Miller planes of ϴ-Fe 3 C

Broos, R. J. P., Klumpers, B., Zijlstra, B., Filot, I. A. W. & Hensen, E. J. M., 15 Feb 2020, In : Catalysis Today. 342, p. 152-160 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

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1 Citation (Scopus)
19 Downloads (Pure)

A theoretical study of the reverse water-gas shift reaction on Ni(111) and Ni(311) surfaces

Zhang, M., Zijlstra, B., Filot, I., Li, F., Wang, H., Li, J. & Hensen, E., 1 Mar 2020, In : Canadian Journal of Chemical Engineering. 98, 3, p. 740-748 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

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1 Citation (Scopus)
21 Downloads (Pure)

Bioorthogonal Tetrazine Carbamate Cleavage by Highly Reactive trans-Cyclooctene

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., 24 Jun 2020, In : Journal of the American Chemical Society. 142, 25, p. 10955-10963 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

1 Citation (Scopus)

Design of Nonideal Eutectic Mixtures Based on Correlations with Molecular Properties

Kollau, L. J. B. M., Tuinier, R., Verhaak, J., Den Doelder, J., Filot, I. A. W. & Vis, M., 25 Jun 2020, In : Journal of Physical Chemistry B. 124, 25, p. 5209-5219 11 p.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access

First-principles based microkinetic modeling of transient kinetics of CO hydrogenation on cobalt catalysts

Zijlstra, B., Broos, R., Chen, W., Filot, I. & Hensen, E., 15 Feb 2020, In : Catalysis Today. 342, p. 131-141 11 p.

Research output: Contribution to journalArticleAcademicpeer-review

3 Citations (Scopus)
11 Downloads (Pure)

First-principles microkinetics simulations of electrochemical reduction of CO2 over Cu catalysts

Zijlstra, B., Zhang, X., Liu, J-X., Filot, I. A. W., Zhou, Z., Sun, S. & Hensen, E. J. M., 1 Mar 2020, In : Electrochimica Acta. 335, 17 p., 135665.

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48 Downloads (Pure)
2019

Coverage effects in CO dissociation on metallic cobalt nanoparticles

Zijlstra, B., Broos, R., Chen, W., Oosterbeek, H., Filot, I. & Hensen, E., 2 Aug 2019, In : ACS Catalysis. 9, 8, p. 7365-7372 8 p.

Research output: Contribution to journalArticleAcademicpeer-review

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6 Citations (Scopus)
50 Downloads (Pure)

Efficient base-metal NiMn/TiO2 catalyst for CO2 methanation

Vrijburg, W., Moioli, E., Chen, W., Zhang, M., Terlingen, B. J. P., Zijlstra, B., Filot, I., Züttel, A., Pidko, E. A. & Hensen, E., 6 Sep 2019, In : ACS Catalysis. 9, 9, p. 7823-7839 17 p.

Research output: Contribution to journalArticleAcademicpeer-review

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9 Citations (Scopus)
131 Downloads (Pure)
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44 Downloads (Pure)

Quantum-chemical-based microkinetics simulations of syngas conversion over MoS2(1 0 0) surface

Fariduddin, F., Filot, I. A. W., Zijlstra, B. & Hensen, E. J. M., 28 Apr 2019, In : Chemical Engineering Science. 198, p. 166-183 18 p.

Research output: Contribution to journalArticleAcademicpeer-review

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2 Citations (Scopus)
41 Downloads (Pure)

Supramolecular interactions between catalytic species allow rational control over reaction kinetics

Teunissen, A. J. P., Paffen, T. F. E., Filot, I. A. W., Lanting, M. D., van der Haas, R. J. C., de Greef, T. & Meijer, B., 21 Oct 2019, In : Chemical Science. 10, 39, p. 9115-9124 10 p.

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17 Downloads (Pure)

Theoretical approach to predict the stability of supported single-atom catalysts

Su, Y. Q., Wang, Y., Liu, J. X., Filot, I. A. W., Alexopoulos, K., Zhang, L., Muravev, V., Zijlstra, B., Vlachos, D. G. & Hensen, E. J. M., 5 Apr 2019, In : ACS Catalysis. 9, 4, p. 3289-3297 9 p.

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15 Citations (Scopus)
77 Downloads (Pure)

Understanding carbon dioxide activation and carbon-carbon coupling over nickel

Vogt, C., Monai, M., Sterk, E. B., Palle, J., Melcherts, A. E. M., Zijlstra, B., Groeneveld, E., Berben, P. H., Boereboom, J. M., Hensen, E. J. M., Meirer, F., Filot, I. A. W. & Weckhuysen, B. M., 1 Dec 2019, In : Nature Communications. 10, 10 p., 5330.

Research output: Contribution to journalArticleAcademicpeer-review

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4 Citations (Scopus)
28 Downloads (Pure)

Understanding the Impact of defects on catalytic CO oxidation of LaFeO 3 -Supported Rh, Pd, and Pt single-atom catalysts

Zhang, L., Filot, I. A. W., Su, Y. Q., Liu, J. X. & Hensen, E. J. M., 28 Mar 2019, In : Journal of Physical Chemistry C. 123, 12, p. 7290-7298 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

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6 Citations (Scopus)
129 Downloads (Pure)
2018

A linear scaling relation for CO oxidation on CeO2-supported Pd

Liu, J. X., Su, Y., Filot, I. A. W. & Hensen, E. J. M., 4 Apr 2018, In : Journal of the American Chemical Society. 140, 13, p. 4580-4587 8 p.

Research output: Contribution to journalArticleAcademicpeer-review

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46 Citations (Scopus)
84 Downloads (Pure)

An active alkali-exchanged faujasite catalyst for p-xylene production via the One-Pot Diels-Alder cycloaddition/dehydration reaction of 2,5-dimethylfuran with ethylene

Rohling, R. Y., Uslamin, E., Zijlstra, B., Tranca, I. C., Filot, I. A. W., Hensen, E. J. M. & Pidko, E. A., 2 Feb 2018, In : ACS Catalysis. 8, 2, p. 760-769 10 p.

Research output: Contribution to journalArticleAcademicpeer-review

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23 Citations (Scopus)
59 Downloads (Pure)

Highly active and stable CH4 oxidation by substitution of Ce4+ by two Pd2+ ions in CeO2(111)

Su, Y., Liu, J., Filot, I. A. W., Zhang, L. & Hensen, E. J. M., 6 Jul 2018, In : ACS Catalysis. 8, 7, p. 6552-6559 8 p.

Research output: Contribution to journalArticleAcademicpeer-review

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24 Citations (Scopus)
152 Downloads (Pure)

Mechanism of carbon monoxide dissociation on a cobalt Fischer–Tropsch catalyst

Chen, W., Zijlstra, B., Filot, I. A. W., Pestman, R. & Hensen, E. J. M., 9 Jan 2018, In : ChemCatChem. 10, 1, p. 136-140 5 p.

Research output: Contribution to journalArticleAcademicpeer-review

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16 Citations (Scopus)
127 Downloads (Pure)

Optimum Cu nanoparticle catalysts for CO2 hydrogenation towards methanol

Zhang, X., Liu, J. X., Zijlstra, B., Filot, I. A. W., Zhou, Z., Sun, S. & Hensen, E. J. M., 1 Jan 2018, In : Nano Energy. 43, p. 200-209 10 p.

Research output: Contribution to journalArticleAcademicpeer-review

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36 Citations (Scopus)
162 Downloads (Pure)

Optimum Particle Size for Gold-Catalyzed CO Oxidation

Liu, J., Filot, I. A. W., Su, Y., Zijlstra, B. & Hensen, E. J. M., 19 Apr 2018, In : Journal of Physical Chemistry C. 122, 15, p. 8327-8340 14 p.

Research output: Contribution to journalArticleAcademicpeer-review

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12 Citations (Scopus)
121 Downloads (Pure)

Potential enthalpic energy of water in oils exploited to control supramolecular structure

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., 7 Jun 2018, In : Nature. 558, 7708, p. 100-103 4 p.

Research output: Contribution to journalArticleAcademicpeer-review

32 Citations (Scopus)
8 Downloads (Pure)

Quantum-Chemical DFT Study of Direct and H- and C-Assisted CO Dissociation on the χ-Fe5C2 Hägg Carbide

Broos, R. J. P., Zijlstra, B., Filot, I. A. W. & Hensen, E. J. M., 10 May 2018, In : Journal of Physical Chemistry C. 122, 18, p. 9929-9938 10 p.

Research output: Contribution to journalArticleAcademicpeer-review

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10 Citations (Scopus)
69 Downloads (Pure)

Reversible restructuring of silver particles during ethylene epoxidation

van Hoof, A. J. F., Filot, I. A. W., Friedrich, H. & Hensen, E. J. M., 7 Dec 2018, In : ACS Catalysis. 8, 12, p. 11794-11800 7 p.

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11 Citations (Scopus)
40 Downloads (Pure)

Stable Pd-doped ceria structures for CH4 activation and CO oxidation

Su, Y., Filot, I. A. W., Liu, J. & Hensen, E. J. M., 5 Jan 2018, In : ACS Catalysis. 8, 1, p. 75-80 6 p.

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35 Citations (Scopus)
115 Downloads (Pure)

Transition metal doping of Pd(1 1 1) for the NO + CO reaction

Zhang, L., Filot, I. A. W., Su, Y., Liu, J. & Hensen, E. J. M., 1 Jul 2018, In : Journal of Catalysis. 363, p. 154-163 10 p.

Research output: Contribution to journalArticleAcademicpeer-review

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7 Citations (Scopus)
149 Downloads (Pure)
2017

CO oxidation on Rh-doped hexadecagold clusters

Liu, J., Liu, Z., Filot, I. A. W., Su, Y., Tranca, I. & Hensen, E. J. M., 2017, In : Catalysis Science & Technology. 7, 1, p. 75-83 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

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6 Citations (Scopus)
8 Downloads (Pure)

Kinetic aspects of chain growth in Fischer-Tropsch synthesis

Filot, I. A. W., Zijlstra, B., Broos, R. J. P., Chen, W., Pestman, R. & Hensen, E. J. M., 1 Apr 2017, In : Faraday Discussions. 197, p. 153-164 12 p.

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14 Citations (Scopus)
97 Downloads (Pure)

Mechanism of cobalt-catalyzed CO hydrogenation: 1. Methanation

Chen, W., Pestman, R., Zijlstra, B., Filot, I. A. W. & Hensen, E. J. M., 1 Dec 2017, In : ACS Catalysis. 7, 12, p. 8050-8060 11 p.

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37 Citations (Scopus)
63 Downloads (Pure)

Mechanism of cobalt-catalyzed CO hydrogenation: 2. Fischer-Tropsch synthesis

Chen, W., Filot, I. A. W., Pestman, R. & Hensen, E. J. M., 1 Dec 2017, In : ACS Catalysis. 7, 12, p. 8061-8071 11 p.

Research output: Contribution to journalArticleAcademicpeer-review

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34 Citations (Scopus)
122 Downloads (Pure)

Theoretical study of ripening mechanisms of Pd clusters on Ceria

Su, Y., Liu, J., Filot, I. A. W. & Hensen, E. J. M., 14 Nov 2017, In : Chemistry of Materials. 29, 21, p. 9456–9462 7 p.

Research output: Contribution to journalArticleAcademicpeer-review

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25 Citations (Scopus)
101 Downloads (Pure)

Unravelling the pathway complexity in conformationally flexible N-centered triarylamine trisamides

Adelizzi, B., Filot, I. A. W., Palmans, A. R. A. & Meijer, E. W., 2 May 2017, In : Chemistry : A European Journal. 23, 25, p. 6103-6110 8 p.

Research output: Contribution to journalArticleAcademicpeer-review

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28 Citations (Scopus)
91 Downloads (Pure)
2016

A quantum-chemical DFT study of CO dissociation on Fe-promoted stepped Rh surfaces

Filot, I. A. W., Fariduddin, F., Broos, R. J. P., Zijlstra, B. & Hensen, E. J. M., 15 Oct 2016, In : Catalysis Today. 275, p. 111-118 8 p.

Research output: Contribution to journalArticleAcademicpeer-review

6 Citations (Scopus)
2 Downloads (Pure)

Charge Transport over the Defective CeO2(111) Surface

Su, Y. Q., Filot, I. A. W., Liu, J. X., Tranca, I. & Hensen, E. J. M., 23 Aug 2016, In : Chemistry of Materials. 28, 16, p. 5652-5658 7 p.

Research output: Contribution to journalArticleAcademicpeer-review

27 Citations (Scopus)
2 Downloads (Pure)

Identification of step-edge sites on Rh nanoparticles for facile CO dissociation

Ligthart, D. A. J. M., Filot, I. A. W., Almutairi, A. A. H. & Hensen, E. J. M., 5 Mar 2016, In : Catalysis Communications. 77, p. 5-8 4 p.

Research output: Contribution to journalArticleAcademicpeer-review

8 Citations (Scopus)
1 Downloads (Pure)
2015

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., Santen, van, R. A. & Hensen, E. J. M., 2015, In : ACS Catalysis. 5, 9, p. 5453-5467 15 p.

Research output: Contribution to journalArticleAcademicpeer-review

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53 Citations (Scopus)
104 Downloads (Pure)

Microkinetic modeling of the oxygen reduction reaction at the Pt(111)/gas interface

Fantauzzie, D., Zhu, T., Müller, J. E., Filot, I. A. W., Hensen, E. J. M. & Jacob, T., 2015, In : Catalysis Letters. 145, 1, p. 451-457 7 p.

Research output: Contribution to journalArticleAcademicpeer-review

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4 Citations (Scopus)
190 Downloads (Pure)
2014

Correlating Fischer-Tropsch activity to Ru nanoparticle surface structure as probed by high-energy X-ray diffraction

Quek, X. Y., Filot, I. A. W., Pestman, R., Santen, van, R. A., Petkov, V. & Hensen, E. J. M., 2014, In : Chemical Communications. 50, 45, p. 6005-6008 4 p.

Research output: Contribution to journalArticleAcademicpeer-review

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32 Citations (Scopus)
91 Downloads (Pure)

Development of a benzimidazole-derived bidentate P,N-ligand for enantioselective iridium-catalyzed hydrogenations

Weemers, J. J. M., Sypaseuth, F. D., Bäuerlein, P. S., Graaff, van der, W. N. P., Filot, I. A. W., Lutz, M. & Mueller, C., 2014, In : European Journal of Organic Chemistry. 2014, 2, p. 350-362 13 p.

Research output: Contribution to journalArticleAcademicpeer-review

12 Citations (Scopus)
1 Downloads (Pure)

Inside cover : the optimally performing Fischer-Tropsch catalyst

Filot, I. A. W., Santen, van, R. A. & Hensen, E. J. M., 2014, In : Angewandte Chemie - International Edition. 53, 47, p. 12646-12646

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40 Downloads (Pure)

Quantum chemistry of the Fischer-Tropsch reaction catalysed by a stepped ruthenium surface

Filot, I. A. W., Santen, van, R. A. & Hensen, E. J. M., 2014, In : Catalysis Science & Technology. 4, 9, p. 3129-3140 12 p.

Research output: Contribution to journalArticleAcademicpeer-review

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29 Citations (Scopus)
398 Downloads (Pure)

Reactivity of CO on carbon-covered cobalt surfaces in Fischer-Tropsch synthesis

Joos, L., Filot, I. A. W., Cottenier, S., Hensen, E. J. M., Waroquier, M., Speybroeck, van, V. & Santen, van, R. A., 2014, In : Journal of Physical Chemistry C. 118, 10, p. 5317-5327 11 p.

Research output: Contribution to journalArticleAcademicpeer-review

31 Citations (Scopus)
1 Downloads (Pure)

The optimally performing Fischer-Tropsch catalyst

Filot, I. A. W., van Santen, R. A. & Hensen, E. J. M., 1 Nov 2014, In : Angewandte Chemie - International Edition. 53, 47, p. 12746-12750 5 p.

Research output: Contribution to journalArticleAcademicpeer-review

7 Downloads (Pure)

The optimally performing Fischer-Tropsch catalyst

Filot, I. A. W., Santen, van, R. A. & Hensen, E. J. M., 2014, In : Angewandte Chemie. 126, 47, p. 12960-12964 5 p.

Research output: Contribution to journalArticleAcademicpeer-review

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96 Citations (Scopus)
178 Downloads (Pure)
2013

Catalytic properties of extraframework iron-containing species in ZSM-5 for N2O decomposition

Li, G., Pidko, E. A., Filot, I. A. W., Santen, van, R. A., Li, C. & Hensen, E. J. M., 2013, In : Journal of Catalysis. 308, p. 386-397 12 p.

Research output: Contribution to journalArticleAcademicpeer-review

28 Citations (Scopus)
20 Citations (Scopus)
2 Downloads (Pure)

Mechanism and microkinetics of the Fischer-Tropsch Reaction

Santen, van, R. A., Markvoort, A. J., Filot, I. A. W., Ghouri, M. M. & Hensen, E. J. M., 2013, In : Physical Chemistry Chemical Physics. 15, 40, p. 17038-17063 26 p.

Research output: Contribution to journalArticleAcademicpeer-review

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128 Citations (Scopus)
352 Downloads (Pure)

Microkinetics of steam methane reforming on platinum and rhodium metal surfaces

Zhu, T., Grootel, van, P. W., Filot, I. A. W., Sun, S-G., Santen, van, R. A. & Hensen, E. J. M., 2013, In : Journal of Catalysis. 297, p. 227-235 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

34 Citations (Scopus)
5 Downloads (Pure)

Self-healing systems based on disulfide-thiol exchange reactions

Pepels, M. P. F., Filot, I. A. W., Klumperman, B. & Goossens, J. G. P., 2013, In : Polymer Chemistry. 4, 18, p. 4955-4965 11 p.

Research output: Contribution to journalArticleAcademicpeer-review

221 Citations (Scopus)
3 Downloads (Pure)
2012
2 Citations (Scopus)
11 Downloads (Pure)