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Effect of Different...
Effect of Different In 2 O 3 (111) Surface Terminations on CO 2 Adsorption
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- Gericke, Sabrina M. (author)
- Lunds universitet,Lund University
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- Kauppinen, Minttu Maria, 1991 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Wagner, Margareta (author)
- Technische Universität Wien,Vienna University of Technology
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- Riva, Michele (author)
- Technische Universität Wien,Vienna University of Technology
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- Franceschi, Giada (author)
- Technische Universität Wien,Vienna University of Technology
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- Posada Borbon, Alvaro, 1990 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Rämisch, Lisa (author)
- Lunds universitet,Lund University
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- Pfaff, Sebastian (author)
- Lunds universitet,Lund University
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- Rheinfrank, Erik (author)
- Technische Universität Wien,Vienna University of Technology
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- Imre, Alexander M. (author)
- Technische Universität Wien,Vienna University of Technology
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- Preobrajenski, Alexei B. (author)
- Max IV-laboratoriet,MAX IV Laboratory
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- Appelfeller, Stephan (author)
- Max IV-laboratoriet,MAX IV Laboratory
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Blomberg, Sara (author)
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- Merte, L. R. (author)
- Malmö universitet,Malmö university
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- Zetterberg, Johan (author)
- Lunds universitet,Lund University
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- Diebold, Ulrike (author)
- Technische Universität Wien,Vienna University of Technology
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- Grönbeck, Henrik, 1966 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Lundgren, Edvin (author)
- Lunds universitet,Lund University
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(creator_code:org_t)
- 2023
- 2023
- English.
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In: ACS Applied Materials & Interfaces. - 1944-8252 .- 1944-8244. ; 15:38, s. 45367-45377
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Abstract
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- In2O3-based catalysts have shown high activity and selectivity for CO2 hydrogenation to methanol; however, the origin of the high performance of In2O3 is still unclear. To elucidate the initial steps of CO2 hydrogenation over In2O3, we have combined X-ray photoelectron spectroscopy and density functional theory calculations to study the adsorption of CO2 on the In2O3(111) crystalline surface with different terminations, namely, the stoichiometric, reduced, and hydroxylated surface. The combined approach confirms that the reduction of the surface results in the formation of In adatoms and that water dissociates on the surface at room temperature. A comparison of the experimental spectra and the computed core-level shifts (using methanol and formic acid as benchmark molecules) suggests that CO2 adsorbs as a carbonate on all three surface terminations. We find that the adsorption of CO2 is hindered by hydroxyl groups on the hydroxylated surface.
Subject headings
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Keyword
- indium oxide
- density functional theory
- core-level shifts
- methanol synthesis
- heterogeneous catalysis
- X-ray photoelectron spectroscopy
- CO2 adsorption
Publication and Content Type
- art (subject category)
- ref (subject category)
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- By the author/editor
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Gericke, Sabrina ...
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Kauppinen, Mintt ...
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Wagner, Margaret ...
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Riva, Michele
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Franceschi, Giad ...
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Posada Borbon, A ...
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show more...
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Rämisch, Lisa
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Pfaff, Sebastian
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Rheinfrank, Erik
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Imre, Alexander ...
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Preobrajenski, A ...
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Appelfeller, Ste ...
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Blomberg, Sara
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Merte, L. R.
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Zetterberg, Joha ...
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Diebold, Ulrike
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Grönbeck, Henrik ...
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Lundgren, Edvin
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show less...
- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Physical Chemist ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Theoretical Chem ...
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ACS Applied Mate ...
- By the university
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Chalmers University of Technology