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Updated: Aug 29, 2025

Angle-resolved Photoemission Spectroscopy At Ultra-low Temperatures
Published on: October 9, 2012
Why Ultrafast Photoinduced CO Desorption Dominates over Oxidation on Ru(0001)
Auguste Tetenoire1, Christopher Ehlert2,3, J I Juaristi1,4,5
1Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018, Donostia-San Sebastián, Spain.
Femtosecond laser pulses activate CO oxidation on Ru(0001), a reaction normally forbidden. Simulations reveal ultrafast CO desorption dominates over oxidation, explaining the reaction
Area of Science:
- Surface science
- Chemical kinetics
- Computational chemistry
Background:
- CO oxidation on Ru(0001) is thermally forbidden but laser-activated.
- The dynamics of photoinduced oxidation and CO photodesorption are not fully understood.
Purpose of the Study:
- Investigate the precise dynamics of photoinduced CO oxidation and CO photodesorption on Ru(0001).
- Elucidate the reasons for the dominant role of CO photodesorption over oxidation.
Main Methods:
- Utilized ab initio molecular dynamics with electronic friction.
- Simulated highly excited and non-equilibrium systems generated by femtosecond laser pulses.
Main Results:
- Successfully reproduced experimental findings: photoinduced oxidation and desorption.
- Observed a large branching ratio favoring CO photodesorption over oxidation.
- Characterized changes in O K-edge X-ray absorption spectra during the initial oxidation stage.
Conclusions:
- Detailed monitoring of ultrafast CO desorption and oxidation is now possible.
- The study disentangles the reasons for the inertness towards energetically favorable oxidation.
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