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

Xian Yang Quek; Ivo A.W. Filot; Robert Pestman; Rutger A. van Santen; Valeri Petkov; Emiel J.M. Hensen

doi:10.1039/c4cc01687d

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

Xian Yang Quek, Ivo A.W. Filot, Robert Pestman, Rutger A. van Santen, Valeri Petkov, Emiel J.M. Hensen

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37 Scopus citations

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
Volume	50
Issue number	45
DOIs	https://doi.org/10.1039/c4cc01687d
State	Published - May 8 2014

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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.",

author = "Quek, {Xian Yang} and Filot, {Ivo A.W.} and Robert Pestman and {van Santen}, {Rutger A.} and Valeri Petkov and Hensen, {Emiel J.M.}",

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AU - Quek, Xian Yang

AU - Filot, Ivo A.W.

AU - Pestman, Robert

AU - van Santen, Rutger A.

AU - Petkov, Valeri

AU - Hensen, Emiel J.M.

PY - 2014/5/8

Y1 - 2014/5/8

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.

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U2 - 10.1039/c4cc01687d

DO - 10.1039/c4cc01687d

M3 - Article

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JO - Chemical Communications

JF - Chemical Communications

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

Abstract

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