• 206 Citations
20162020

Research output per year

If you made any changes in Pure these will be visible here soon.

Research Output

  • 206 Citations
  • 18 Article
  • 1 Phd Thesis 1 (Research TU/e / Graduation TU/e)
Filter
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

Open Access
File
1 Citation (Scopus)
18 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

Open Access
File
1 Citation (Scopus)
20 Downloads (Pure)

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
43 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

Open Access
File
6 Citations (Scopus)
45 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

Open Access
File
7 Citations (Scopus)
130 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

Open Access
File
2 Citations (Scopus)
40 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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
15 Citations (Scopus)
73 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

Open Access
File
3 Citations (Scopus)
27 Downloads (Pure)
2018

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

Open Access
File
21 Citations (Scopus)
57 Downloads (Pure)

Influence of carbon deposits on the cobalt-catalyzed Fischer-Tropsch reaction: evidence of a two-site reaction model

Chen, W., Kimpel, T. F., Song, Y., Chiang, F. K., Zijlstra, B., Pestman, R., Wang, P. & Hensen, E. J. M., 2 Feb 2018, In : ACS Catalysis. 8, 2, p. 1580-1590 11 p.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
20 Citations (Scopus)
83 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

Open Access
File
16 Citations (Scopus)
125 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

Open Access
File
34 Citations (Scopus)
151 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

Open Access
File
12 Citations (Scopus)
115 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

Open Access
File
10 Citations (Scopus)
66 Downloads (Pure)
2017

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
13 Citations (Scopus)
94 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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
36 Citations (Scopus)
60 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)