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Research Output 2015 2019

  • 42 Citations
  • 5 Article

A quantum-chemical study of CO dissociation mechanism on low-index Miller planes of ϴ-Fe3C

Broos, R., Klumpers, B., Zijlstra, B., Filot, I. & Hensen, E., 2019, (Accepted/In press) In : Catalysis Today.

Research output: Contribution to journalArticleAcademicpeer-review

Carbon Monoxide
Chemical activation
Carbides
Fischer-Tropsch synthesis
Cobalt
1 Citations

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
Carbon Monoxide
Discrete Fourier transforms
carbides
Carbides
dissociation
3 Citations

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

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Fischer-Tropsch synthesis
Kinetics
kinetics
synthesis
Carbon Monoxide
3 Citations

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

Carbon Monoxide
Discrete Fourier transforms
Hydrogenation
Density functional theory
Substitution reactions
35 Citations

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

Open Access
File
Rhodium
Synthesis gas
Carbon Monoxide
Ethanol
Methane

Student theses

Towards the elucidation of the Fischer-Tropsch synthesis reaction on stepped Rhodium (211) surfaces

Author: Broos, R., 30 Nov 2014

Supervisor: Filot, I. (Supervisor 1), Hensen, E. (Supervisor 2), Nijhuis, T. (Supervisor 2) & van Santen, R. (Supervisor 2)

Student thesis: Master

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