Charging effects on bonding and catalyzed oxidation of CO on Au8 clusters on MgO

Bokwon Yoon; Hannu Häkkinen; Uzi Landman; Anke S. Wörz; Jean Marie Antonietti; Stéphane Abbet; Ken Judai; Ueli Heiz

doi:10.1126/science.1104168

Charging effects on bonding and catalyzed oxidation of CO on Au₈ clusters on MgO

Bokwon Yoon, Hannu Häkkinen, Uzi Landman, Anke S. Wörz, Jean Marie Antonietti, Stéphane Abbet, Ken Judai, Ueli Heiz

Chair of Physical Chemistry

Research output: Contribution to journal › Article › peer-review

1342 Scopus citations

Abstract

Gold octamers (Au₈) bound to oxygen-vacancy F-center defects on Mg(001) are the smallest clusters to catalyze the low-temperature oxidation of CO to CO₂, whereas clusters deposited on close-to-perfect magnesia surfaces remain chemically inert. Charging of the supported clusters plays a key role in promoting their chemical activity. Infrared measurements of the stretch vibration of CO adsorbed on mass-selected gold octamers soft-landed on MgO(001) with coadsorbed O₂ show a red shift on an F-center-rich surface with respect to the perfect surface. The experiments agree with quantum ab initio calculations that predict that a red shift of the C-O vibration should arise via electron back-donation to the CO antibonding orbital.

Original language	English
Pages (from-to)	403-407
Number of pages	5
Journal	Science
Volume	307
Issue number	5708
DOIs	https://doi.org/10.1126/science.1104168
State	Published - 21 Jan 2005

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abstract = "Gold octamers (Au8) bound to oxygen-vacancy F-center defects on Mg(001) are the smallest clusters to catalyze the low-temperature oxidation of CO to CO2, whereas clusters deposited on close-to-perfect magnesia surfaces remain chemically inert. Charging of the supported clusters plays a key role in promoting their chemical activity. Infrared measurements of the stretch vibration of CO adsorbed on mass-selected gold octamers soft-landed on MgO(001) with coadsorbed O2 show a red shift on an F-center-rich surface with respect to the perfect surface. The experiments agree with quantum ab initio calculations that predict that a red shift of the C-O vibration should arise via electron back-donation to the CO antibonding orbital.",

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T1 - Charging effects on bonding and catalyzed oxidation of CO on Au8 clusters on MgO

AU - Yoon, Bokwon

AU - Häkkinen, Hannu

AU - Landman, Uzi

AU - Wörz, Anke S.

AU - Antonietti, Jean Marie

AU - Abbet, Stéphane

AU - Judai, Ken

AU - Heiz, Ueli

PY - 2005/1/21

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N2 - Gold octamers (Au8) bound to oxygen-vacancy F-center defects on Mg(001) are the smallest clusters to catalyze the low-temperature oxidation of CO to CO2, whereas clusters deposited on close-to-perfect magnesia surfaces remain chemically inert. Charging of the supported clusters plays a key role in promoting their chemical activity. Infrared measurements of the stretch vibration of CO adsorbed on mass-selected gold octamers soft-landed on MgO(001) with coadsorbed O2 show a red shift on an F-center-rich surface with respect to the perfect surface. The experiments agree with quantum ab initio calculations that predict that a red shift of the C-O vibration should arise via electron back-donation to the CO antibonding orbital.

AB - Gold octamers (Au8) bound to oxygen-vacancy F-center defects on Mg(001) are the smallest clusters to catalyze the low-temperature oxidation of CO to CO2, whereas clusters deposited on close-to-perfect magnesia surfaces remain chemically inert. Charging of the supported clusters plays a key role in promoting their chemical activity. Infrared measurements of the stretch vibration of CO adsorbed on mass-selected gold octamers soft-landed on MgO(001) with coadsorbed O2 show a red shift on an F-center-rich surface with respect to the perfect surface. The experiments agree with quantum ab initio calculations that predict that a red shift of the C-O vibration should arise via electron back-donation to the CO antibonding orbital.

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Charging effects on bonding and catalyzed oxidation of CO on Au₈ clusters on MgO

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