Carbonate formation and decomposition on atomic oxygen precovered Au(111)

Rotimi A. Ojifinni; Jinlong Gong; Nathan S. Froemming; David W. Flaherty; Ming Pan; Graeme Henkelman; C. Buddie Mullins

doi:10.1021/ja803482h

Carbonate formation and decomposition on atomic oxygen precovered Au(111)

Rotimi A. Ojifinni, Jinlong Gong, Nathan S. Froemming, David W. Flaherty, Ming Pan, Graeme Henkelman, C. Buddie Mullins

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

Abstract

Experimental results supported by density functional theory calculations show carbonate formation and reaction on atomic oxygen precovered Au(111). Oxygen mixing is observed in temperature-programmed desorption measurements when a Au(111) precovered with ¹⁶O is exposed to isotopically labeled CO₂ (C¹⁸O₂). The presence of ¹⁶O¹⁸O is attributed to surface carbonate formation and decomposition at surface temperatures ranging from 77-400 K and initial oxygen coverages ranging from 0.18-2.1 ML. A reaction probability on the order of 10^-4 and an activation energy of -0.15 ± 0.08 eV are estimated for this reaction.

Original language	English (US)
Pages (from-to)	11250-11251
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	130
Issue number	34
DOIs	https://doi.org/10.1021/ja803482h
State	Published - Aug 27 2008
Externally published	Yes

ASJC Scopus subject areas

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

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10.1021/ja803482h

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abstract = "Experimental results supported by density functional theory calculations show carbonate formation and reaction on atomic oxygen precovered Au(111). Oxygen mixing is observed in temperature-programmed desorption measurements when a Au(111) precovered with 16O is exposed to isotopically labeled CO2 (C18O2). The presence of 16O18O is attributed to surface carbonate formation and decomposition at surface temperatures ranging from 77-400 K and initial oxygen coverages ranging from 0.18-2.1 ML. A reaction probability on the order of 10-4 and an activation energy of -0.15 ± 0.08 eV are estimated for this reaction.",

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T1 - Carbonate formation and decomposition on atomic oxygen precovered Au(111)

AU - Ojifinni, Rotimi A.

AU - Gong, Jinlong

AU - Froemming, Nathan S.

AU - Flaherty, David W.

AU - Pan, Ming

AU - Henkelman, Graeme

AU - Mullins, C. Buddie

PY - 2008/8/27

Y1 - 2008/8/27

N2 - Experimental results supported by density functional theory calculations show carbonate formation and reaction on atomic oxygen precovered Au(111). Oxygen mixing is observed in temperature-programmed desorption measurements when a Au(111) precovered with 16O is exposed to isotopically labeled CO2 (C18O2). The presence of 16O18O is attributed to surface carbonate formation and decomposition at surface temperatures ranging from 77-400 K and initial oxygen coverages ranging from 0.18-2.1 ML. A reaction probability on the order of 10-4 and an activation energy of -0.15 ± 0.08 eV are estimated for this reaction.

AB - Experimental results supported by density functional theory calculations show carbonate formation and reaction on atomic oxygen precovered Au(111). Oxygen mixing is observed in temperature-programmed desorption measurements when a Au(111) precovered with 16O is exposed to isotopically labeled CO2 (C18O2). The presence of 16O18O is attributed to surface carbonate formation and decomposition at surface temperatures ranging from 77-400 K and initial oxygen coverages ranging from 0.18-2.1 ML. A reaction probability on the order of 10-4 and an activation energy of -0.15 ± 0.08 eV are estimated for this reaction.

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Carbonate formation and decomposition on atomic oxygen precovered Au(111)

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