Probing the transition state region in catalytic CO oxidation on Ru

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

doi:10.1126/science.1261747

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Probing the transition state region in catalytic CO oxidation on Ru

Öström, H., Öberg, H., Xin, H., LaRue, J., Beye, M., Dell’Angela, M., et al. (2015). Probing the transition state region in catalytic CO oxidation on Ru. Science, 347(6225), 978-982. doi:10.1126/science.1261747.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0026-A9FF-8 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0026-AA00-B

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Öström, H.¹, Author
Öberg, H.¹, Author
Xin, H.², Author
LaRue, J.^{2, 3}, Author
Beye, M.^{2, 4}, Author
Dell’Angela, M.⁵, Author
Gladh, J.¹, Author
Ng, M. L.², Author
Sellberg, J. A.^{1, 2}, Author
Kaya, S.², Author
Mercurio, G.⁵, Author
Nordlund, D.⁶, Author
Hantschmann, M.⁴, Author
Hieke, F.⁵, Author
Kühn, D.⁴, Author
Schlotter, W. F.⁷, Author
Dakovski, G. L.⁷, Author
Turner, J. J.⁷, Author
Minitti, M. P.⁷, Author
Mitra, A.⁷, Author
Moeller, S. P.⁷, AuthorFöhlisch, A.^{4, 8}, AuthorWolf, Martin⁹, Author Wurth, W.^{5, 10}, AuthorPersson, M.¹¹, AuthorNørskov, J. K.^{2, 3}, AuthorAbild-Pedersen, F.², AuthorOgasawara, H.⁶, AuthorPettersson, L. G. M.¹, AuthorNilsson, A.^{1, 2, 6}, Author more..

Affiliations:
1Department of Physics, AlbaNova University Center, Stockholm University, SE-10691, Sweden, ou_persistent22
2SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, USA, ou_persistent22
3SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, CA 95305, USA. , ou_persistent22
4Helmholtz Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Strasse 15, D-12489 Berlin, Germany, ou_persistent22
5Physics Department and Center for Free Electron Laser Science, University of Hamburg, Luruper Chausse 149, D-22761 Hamburg, Germany. , ou_persistent22
6Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, USA, ou_persistent22
7Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, USA, ou_persistent22
8Fakultät für Physik und Astronomie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, 14476 Potsdam, Germany, ou_persistent22
9Physical Chemistry, Fritz Haber Institute, Max Planck Society, ou_634546
10Deutsches Elektronen-Synchrotron, Photon Science, Notkestrasse 85, D-22607 Hamburg, Germany, ou_persistent22
11Surface Science Research Centre and Department of Chemistry, The University of Liverpool, Liverpool, L69 3BX, UK, ou_persistent22

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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 O K-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.

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Language(s): eng - English

Dates: Submitted: 2014-09-26Accepted: 2015-01-28Published Online: 2015-02-12Date issued: 2015-02-27

Publication Status: Issued

Pages: 5

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Rev. Type: Peer

Identifiers: DOI: 10.1126/science.1261747

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Title: Science

Source Genre: Journal

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Publ. Info: Washington, D.C. : American Association for the Advancement of Science

Pages: - Volume / Issue: 347 (6225) Sequence Number: - Start / End Page: 978 - 982 Identifier: ISSN: 0036-8075
CoNE: https://pure.mpg.de/cone/journals/resource/991042748276600_1