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DOI	10.1126/science.1261747
	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 M.; Wurth W.; Persson M.; Nørskov J.K.; Abild-Pedersen F.; Ogasawara H.; Pettersson L.G.M.; Nilsson A.
发表日期	2015
ISSN	0036-8075
起始页码	978
结束页码	982
卷号	347 期号:6225
英文摘要	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. Copyright 2015 by the American Association for the Advancement of Science All rights reserved.
英文关键词	carbon monoxide; ruthenium; carbon dioxide; oxidation; probe; ruthenium; X-ray spectroscopy; adsorption; Article; catalysis; chemical bond; density functional theory; laser; oxidation; priority journal; quantum mechanics; X ray photoelectron spectroscopy
语种	英语
来源期刊	Science
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/244961
作者单位	Department of Physics, AlbaNova University Center, Stockholm UniversitySE-10691, Sweden; SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, United States; SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, CA 95305, United States; Helmholtz Zentrum Berlin Für Materialien und Energie GmbH, Albert-Einstein-Strasse 15, Berlin, D-12489, Germany; Physics Department and Center for Free Electron Laser Science, University of Hamburg, Luruper Chausse 149, Hamburg, D-22761, Germany; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, United States; Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, United States; Fakultät Für Physik und Astronomie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, Potsdam, 14476, Germany; Fritz-Haber ...
推荐引用方式 GB/T 7714	Öström H.,Öberg H.,Xin H.,et al. Probing the transition state region in catalytic CO oxidation on Ru[J],2015,347(6225).
APA	Öström H..,Öberg H..,Xin H..,LaRue J..,Beye M..,...&Nilsson A..(2015).Probing the transition state region in catalytic CO oxidation on Ru.Science,347(6225).
MLA	Öström H.,et al."Probing the transition state region in catalytic CO oxidation on Ru".Science 347.6225(2015).