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Research Output

  • 1623 Citations
  • 59 Article
  • 1 Book
  • 1 Chapter
  • 1 Phd Thesis 1 (Research TU/e / Graduation TU/e)
2019

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

Open Access
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10 Citations (Scopus)
137 Downloads (Pure)
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
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3 Citations (Scopus)
31 Downloads (Pure)

A theoretical study of CO oxidation and O2 activation for transition metal overlayers on SrTiO3 perovskite

Zhang, L., Chang, M. W., Su, Y. Q., Filot, I. A. W. & Hensen, E. J. M., 2020, (Accepted/In press) In : Journal of Catalysis. 391, p. 229-240 12 p.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access

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
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2 Citations (Scopus)
27 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

2 Citations (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

Detailed chemomechanistic sensitivity study on the alkoxylation of fatty amines

Müller, P., van Eeten, K., Winkenwerder, W., van der Schaaf, J. & Filot, I., 10 Jul 2020, (Accepted/In press) In : International Journal of Chemical Kinetics. 52, 11, p. 861-871 11 p.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access

Dynamics of gold clusters on ceria during CO oxidation

Chang, M-W., Zhang, L., Davids, M. R., Filot, I. A. W. & Hensen, E. J. M., 7 Oct 2020, (Accepted/In press) In : Journal of Catalysis.

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

4 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
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1 Citation (Scopus)
54 Downloads (Pure)

Stability of heterogeneous single-atom catalysts: a scaling law mapping thermodynamics to kinetics

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., 24 Sep 2020, In : npj Computational Materials. 6, 1, 7 p., 144.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access