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Alcohol Dehydration on Monooxo W═O and Dioxo O═W═O Species
Zhenjun Li1, Břetislav Šmíd2, Yu Kwon Kim3
1†Chemical and Materials Sciences Division, Fundamental and Computational Sciences Directorate and Institute for Integrated Catalysis, Pacific Northwest National Laboratory, PO Box 999, Mail Stop K8-88, Richland, Washington 99352, United States.
Abstract:
The dehydration of 1-propanol on nanoporous WO3 films prepared via ballistic deposition at ∼20 K has been investigated using temperature-programmed desorption, infrared reflection absorption spectroscopy, and density functional theory. The as-deposited films are extremely efficient in 1-propanol dehydration to propene. This activity is correlated with the presence of dioxo O═W═O groups, whereas monooxo W═O species are shown to be inactive. Annealing of the films induces densification that results in the loss of catalytic activity due to the annihilation of O═W═O species.
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