Insight into electron-mediated reaction mechanisms: Catalytic CO oxidation on a ruthenium surface

C.J. Zhang, Peijun Hu, A. Alavi

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

Ruthenium is one of the poorest catalysts for CO oxidation under normal conditions (low or medium O coverage and normal temperature). However, a recent study [Science 285, 1042 (1999)] reveals that, under femtosecond laser irradiation, CO2 can be formed on the Ru surface, and the reaction follows an electron-mediated mechanism. We carried out density functional theory calculations to investigate CO oxidation via an electron-mediated mechanism on Ru(0001). By comparison to the reaction under normal conditions, following features emerge in the electron-mediated mechanism: (i) more reaction channels are open; (ii) the reaction barrier is significantly lowered. The physical origins for these novel features have been analyzed. (C) 2001 American Institute of Physics.
Original languageEnglish
Pages (from-to)8113-8118
Number of pages6
JournalJournal of Chemical Physics
Volume114
Issue number18
Publication statusPublished - 08 May 2001

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Fingerprint Dive into the research topics of 'Insight into electron-mediated reaction mechanisms: Catalytic CO oxidation on a ruthenium surface'. Together they form a unique fingerprint.

Cite this