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- W2968269333 abstract "Propylene epoxidation using molecular oxygen and hydrogen mixture on Au-based catalysts has attracted attention because of high propylene oxide selectivity and the use of an inexpensive and environmental friendly oxidant. Single-site titanium on metal oxide supports plays an important role in achieving high reactivity and selectivity in propylene epoxidation. Here we used TiO2 atomic layer deposition (ALD) to synthesize single-site titanium imbedded in the SiO2 framework for propylene epoxidation. High temperature calcination was used as post-treatment to control the titania structure and TiO coordination number. Using UV–vis spectroscopy and X-ray absorption spectroscopy, we successfully established that under similar propylene conversion the selectivity to propylene oxide (PO) is strongly correlated to the TiO coordination number and bond length. Using a cluster model, density functional theory (DFT) calculations indicate that the partial charges of single TiSiO2 sites scale linearly as a function of the coordination number. Also, the predicted TiO bond lengths follow the same trend as found in the experiments, providing additional support for the observed experimental activity relationships." @default.
- W2968269333 created "2019-08-22" @default.
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- W2968269333 date "2019-09-01" @default.
- W2968269333 modified "2023-10-11" @default.
- W2968269333 title "Structure and reactivity of single site Ti catalysts for propylene epoxidation" @default.
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- W2968269333 doi "https://doi.org/10.1016/j.jcat.2019.07.051" @default.
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