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

X.Y. Quek; I.A.W. Filot; R. Pestman; R.A. Santen, van; V. Petkov; E.J.M. Hensen

doi:10.1039/C4CC01687D

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

X.Y. Quek
, I.A.W. Filot
, R. Pestman
, R.A. Santen, van
, V. Petkov
, E.J.M. Hensen

Inorganic Materials & Catalysis

Research output: Contribution to journal › Article › Academic › peer-review

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Abstract

Synchrotron X-ray diffraction coupled to atomic pair distribution function analysis and Reverse Monte Carlo simulations is used to determine the atomic-scale structure of Ru nanoparticle catalysts for the Fischer–Tropsch reaction. The rate of CO hydrogenation strongly correlates with the abundance of surface atoms with coordination numbers of 10 and 11. DFT calculations confirm that CO dissociation proceeds with a low barrier on these Ru surface atom ensembles.

Original language	English
Pages (from-to)	6005-6008
Number of pages	4
Journal	Chemical Communications, ChemComm
Volume	50
Issue number	45
DOIs	https://doi.org/10.1039/C4CC01687D
Publication status	Published - 2014

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

abstract = "Synchrotron X-ray diffraction coupled to atomic pair distribution function analysis and Reverse Monte Carlo simulations is used to determine the atomic-scale structure of Ru nanoparticle catalysts for the Fischer–Tropsch reaction. The rate of CO hydrogenation strongly correlates with the abundance of surface atoms with coordination numbers of 10 and 11. DFT calculations confirm that CO dissociation proceeds with a low barrier on these Ru surface atom ensembles.",

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AU - Quek, X.Y.

AU - Filot, I.A.W.

AU - Pestman, R.

AU - Santen, van, R.A.

AU - Petkov, V.

AU - Hensen, E.J.M.

PY - 2014

Y1 - 2014

N2 - Synchrotron X-ray diffraction coupled to atomic pair distribution function analysis and Reverse Monte Carlo simulations is used to determine the atomic-scale structure of Ru nanoparticle catalysts for the Fischer–Tropsch reaction. The rate of CO hydrogenation strongly correlates with the abundance of surface atoms with coordination numbers of 10 and 11. DFT calculations confirm that CO dissociation proceeds with a low barrier on these Ru surface atom ensembles.

AB - Synchrotron X-ray diffraction coupled to atomic pair distribution function analysis and Reverse Monte Carlo simulations is used to determine the atomic-scale structure of Ru nanoparticle catalysts for the Fischer–Tropsch reaction. The rate of CO hydrogenation strongly correlates with the abundance of surface atoms with coordination numbers of 10 and 11. DFT calculations confirm that CO dissociation proceeds with a low barrier on these Ru surface atom ensembles.

U2 - 10.1039/C4CC01687D

DO - 10.1039/C4CC01687D

M3 - Article

SN - 1359-7345

VL - 50

SP - 6005

EP - 6008

JO - Chemical Communications, ChemComm

JF - Chemical Communications, ChemComm

IS - 45

ER -

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

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