CO2 hydrogenation on Pt, Pt/SiO2 and Pt/TiO2: Importance of synergy between Pt and oxide support.
In: Journal of Catalysis, Jg. 343 (2016-11-01), S. 115-126
academicJournal
Zugriff:
In the current study we combined density functional theory (DFT), kinetic Monte Carlo (KMC) simulations and experimental measurements to gain insight into the mechanisms of CO 2 conversion by hydrogen on the Pt nanoparticle (NP). The results show that in spite of the presence of active, low-coordinated sites, Pt NP alone is not able to catalyze the reaction due to the weak CO 2 binding on the catalyst. Once CO 2 is stabilized, the hydrogenation of CO 2 to CO via the reverse-water–gas shift (RWGS) reaction is promoted; in contrast, the enhancement for further * CO hydrogenation to CH 4 is less significant and no CH 3 OH is observed. The selectivity to CO is mainly determined by CO binding energy and the energetics of * CO hydrogenation to * HCO, while that for CH 4 and CH 3 OH is determined by the competition between hydrogenation and C–O bond scission reactions of the * H 2 COH species. Using SiO 2 and TiO 2 as the support, Pt NP is able to promote the overall CO 2 conversion, while the impact on the selectivity is rather small. The theoretically predicted trend in activity and selectivity is in good agreement with the experimental results. The enhanced activity of Pt/oxide over Pt is originated from the sites at the Pt–oxide interface, where the synergy between Pt and oxide plays an important role. [ABSTRACT FROM AUTHOR]
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CO2 hydrogenation on Pt, Pt/SiO2 and Pt/TiO2: Importance of synergy between Pt and oxide support.
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Autor/in / Beteiligte Person: | Kattel, Shyam ; Yan, Binhang ; Chen, Jingguang G. ; Liu, Ping |
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Zeitschrift: | Journal of Catalysis, Jg. 343 (2016-11-01), S. 115-126 |
Veröffentlichung: | 2016 |
Medientyp: | academicJournal |
ISSN: | 0021-9517 (print) |
DOI: | 10.1016/j.jcat.2015.12.019 |
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