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Title: Probing the transition state region in catalytic CO oxidation on Ru

Femtosecond x-ray laser pulses are used to probe the 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 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.
Authors:
 [1] ;  [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [1] ;  [2] ;  [6] ;  [2] ;  [5] ;  [2] ;  [7] ;  [5] ;  [7] ;  [2] ;  [2] ;  [2] ;  [2] ;  [2] more »;  [2] ;  [8] ;  [9] ;  [10] ;  [11] ;  [3] ;  [12] ;  [2] ;  [1] ;  [13] « less
  1. Stockholm Univ. (Sweden)
  2. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  3. SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)
  4. SLAC National Accelerator Lab., Menlo Park, CA (United States); Helmholtz Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany)
  5. Univ. of Hamburg and Center for Free Electron Laser Science, Hamburg (Germany)
  6. Stockholm Univ. (Sweden); SLAC National Accelerator Lab., Menlo Park, CA (United States)
  7. Helmholtz Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany)
  8. Helmholtz Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany); Univ. Potsdam, Potsdam (Germany)
  9. Fritz-Haber Institute of the Max-Planck-Society, Berlin (Germany)
  10. Univ. of Hamburg and Center for Free Electron Laser Science, Hamburg (Germany); DESY Photon Science, Hamburg (Germany)
  11. The Univ. of Liverpool, Liverpool (United Kingdom)
  12. Stanford Univ., Stanford, CA (United States)
  13. Stockholm Univ. (Sweden); SLAC National Accelerator Lab., Menlo Park, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
Publication Date:
OSTI Identifier:
1177416
Report Number(s):
SLAC-PUB--16242
Journal ID: ISSN 0036-8075
DOE Contract Number:
AC02-76SF00515
Resource Type:
Journal Article
Resource Relation:
Journal Name: Science; Journal Volume: 347; Journal Issue: 6225
Publisher:
AAAS
Research Org:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
CHEM; MATSCI