Probing the transition state region in catalytic CO oxidation on Ru

H. Öström; H. Öberg; H. Xin; J. LaRue; M. Beye; M. Dell'Angela; J. Gladh; M. L. Ng; J. A. Sellberg; S. Kaya; G. Mercurio; D. Nordlund; M. Hantschmann; F. Hieke; D. Kühn; W. F. Schlotter; G. L. Dakovski; J. J. Turner; M. P. Minitti; A. Mitra; S. P. Moeller; A. Föhlisch; M. Wolf; W. Wurth; M. Persson; J. K. Nørskov; F. Abild-Pedersen; H. Ogasawara; L. G.M. Pettersson; A. Nilsson

doi:10.1126/science.1261747

Probing the transition state region in catalytic CO oxidation on Ru

H. Öström
, H. Öberg
, H. Xin
, J. LaRue
, M. Beye
, M. Dell'Angela
, J. Gladh
, M. L. Ng
, J. A. Sellberg
, S. Kaya
, G. Mercurio
, D. Nordlund
, M. Hantschmann
, F. Hieke
, D. Kühn
, W. F. Schlotter
, G. L. Dakovski
, J. J. Turner
, M. P. Minitti
, A. Mitra

S. P. Moeller, A. Föhlisch, M. Wolf, W. Wurth, M. Persson, J. K. Nørskov, F. Abild-Pedersen, H. Ogasawara, L. G.M. Pettersson, A. Nilsson^*

^*Corresponding author for this work

Stanford University
University of Hamburg
University of Potsdam
Fritz Haber Institute of the Max Planck Society
University of Liverpool
SLAC National Accelerator Laboratory
KTH Royal Institute of Technology
Helmholtz Centre Berlin for Materials and Energy

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

Femtosecond x-ray laser pulses are used to probe the carbon monoxide (CO) oxidation reaction on ruthenium (Ru) initiated by an optical laser pulse. On a time scale of a few hundred femtoseconds, the optical laser pulse excites motions of CO and oxygen (O) on the surface, allowing the reactants to collide, and, with a transient close to a picosecond (ps), new electronic states appear in the OK-edge x-ray absorption spectrum. Density functional theory calculations indicate that these result from changes in the adsorption site and bond formation between CO and O with a distribution of OC-O bond lengths close to the transition state (TS). After 1 ps, 10% of the CO populate the TS region,which is consistent with predictions based on a quantum oscillator model.

Original language	English
Journal	Science
Volume	347
Issue number	6225
Pages (from-to)	978-982
Number of pages	5
ISSN	0036-8075
DOIs	https://doi.org/10.1126/science.1261747
Publication status	Published - 2015
Externally published	Yes

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Öström, H., Öberg, H., Xin, H., LaRue, J., Beye, M., Dell'Angela, M., Gladh, J., Ng, M. L., Sellberg, J. A., Kaya, S., Mercurio, G., Nordlund, D., Hantschmann, M., Hieke, F., Kühn, D., Schlotter, W. F., Dakovski, G. L., Turner, J. J., Minitti, M. P., ... Nilsson, A. (2015). Probing the transition state region in catalytic CO oxidation on Ru. Science, 347(6225), 978-982. https://doi.org/10.1126/science.1261747

@article{553a051ac1094e369eb826877489c0c2,

title = "Probing the transition state region in catalytic CO oxidation on Ru",

abstract = "Femtosecond x-ray laser pulses are used to probe the carbon monoxide (CO) oxidation reaction on ruthenium (Ru) initiated by an optical laser pulse. On a time scale of a few hundred femtoseconds, the optical laser pulse excites motions of CO and oxygen (O) on the surface, allowing the reactants to collide, and, with a transient close to a picosecond (ps), new electronic states appear in the OK-edge x-ray absorption spectrum. Density functional theory calculations indicate that these result from changes in the adsorption site and bond formation between CO and O with a distribution of OC-O bond lengths close to the transition state (TS). After 1 ps, 10\% of the CO populate the TS region,which is consistent with predictions based on a quantum oscillator model.",

author = "H. {\"O}str{\"o}m and H. {\"O}berg and H. Xin and J. LaRue and M. Beye and M. Dell'Angela and J. Gladh and Ng, \{M. L.\} and Sellberg, \{J. A.\} and S. Kaya and G. Mercurio and D. Nordlund and M. Hantschmann and F. Hieke and D. K{\"u}hn and Schlotter, \{W. F.\} and Dakovski, \{G. L.\} and Turner, \{J. J.\} and Minitti, \{M. P.\} and A. Mitra and Moeller, \{S. P.\} and A. F{\"o}hlisch and M. Wolf and W. Wurth and M. Persson and N{\o}rskov, \{J. K.\} and F. Abild-Pedersen and H. Ogasawara and Pettersson, \{L. G.M.\} and A. Nilsson",

year = "2015",

doi = "10.1126/science.1261747",

language = "English",

volume = "347",

pages = "978--982",

journal = "Science",

issn = "0036-8075",

publisher = "American Association for the Advancement of Science",

number = "6225",

}

Öström, H, Öberg, H, Xin, H, LaRue, J, Beye, M, Dell'Angela, M, Gladh, J, Ng, ML, Sellberg, JA, Kaya, S, Mercurio, G, Nordlund, D, Hantschmann, M, Hieke, F, Kühn, D, Schlotter, WF, Dakovski, GL, Turner, JJ, Minitti, MP, Mitra, A, Moeller, SP, Föhlisch, A, Wolf, M, Wurth, W, Persson, M, Nørskov, JK, Abild-Pedersen, F, Ogasawara, H, Pettersson, LGM & Nilsson, A 2015, 'Probing the transition state region in catalytic CO oxidation on Ru', Science, vol. 347, no. 6225, pp. 978-982. https://doi.org/10.1126/science.1261747

TY - JOUR

T1 - Probing the transition state region in catalytic CO oxidation on Ru

AU - Öström, H.

AU - Öberg, H.

AU - Xin, H.

AU - LaRue, J.

AU - Beye, M.

AU - Dell'Angela, M.

AU - Gladh, J.

AU - Ng, M. L.

AU - Sellberg, J. A.

AU - Kaya, S.

AU - Mercurio, G.

AU - Nordlund, D.

AU - Hantschmann, M.

AU - Hieke, F.

AU - Kühn, D.

AU - Schlotter, W. F.

AU - Dakovski, G. L.

AU - Turner, J. J.

AU - Minitti, M. P.

AU - Mitra, A.

AU - Moeller, S. P.

AU - Föhlisch, A.

AU - Wolf, M.

AU - Wurth, W.

AU - Persson, M.

AU - Nørskov, J. K.

AU - Abild-Pedersen, F.

AU - Ogasawara, H.

AU - Pettersson, L. G.M.

AU - Nilsson, A.

PY - 2015

Y1 - 2015

N2 - Femtosecond x-ray laser pulses are used to probe the carbon monoxide (CO) oxidation reaction on ruthenium (Ru) initiated by an optical laser pulse. On a time scale of a few hundred femtoseconds, the optical laser pulse excites motions of CO and oxygen (O) on the surface, allowing the reactants to collide, and, with a transient close to a picosecond (ps), new electronic states appear in the OK-edge x-ray absorption spectrum. Density functional theory calculations indicate that these result from changes in the adsorption site and bond formation between CO and O with a distribution of OC-O bond lengths close to the transition state (TS). After 1 ps, 10% of the CO populate the TS region,which is consistent with predictions based on a quantum oscillator model.

AB - Femtosecond x-ray laser pulses are used to probe the carbon monoxide (CO) oxidation reaction on ruthenium (Ru) initiated by an optical laser pulse. On a time scale of a few hundred femtoseconds, the optical laser pulse excites motions of CO and oxygen (O) on the surface, allowing the reactants to collide, and, with a transient close to a picosecond (ps), new electronic states appear in the OK-edge x-ray absorption spectrum. Density functional theory calculations indicate that these result from changes in the adsorption site and bond formation between CO and O with a distribution of OC-O bond lengths close to the transition state (TS). After 1 ps, 10% of the CO populate the TS region,which is consistent with predictions based on a quantum oscillator model.

U2 - 10.1126/science.1261747

DO - 10.1126/science.1261747

M3 - Journal article

AN - SCOPUS:84923862250

SN - 0036-8075

VL - 347

SP - 978

EP - 982

JO - Science

JF - Science

IS - 6225

ER -

Probing the transition state region in catalytic CO oxidation on Ru

Abstract

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