title: Alcohol Dehydration on Monooxo W═O and Dioxo O═W═O Species.
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.
authors: †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.
authors: Zhenjun
authors: Z
authors: Li
authors: ‡Charles University, Faculty of Mathematics and Physics, Department of Surface and Plasma Science, V Holešovičkách 2, 18000 Prague 8, Czech Republic.
authors: Břetislav
authors: B
authors: Šmíd
authors: §Department of Energy Systems Research and Department of Chemistry, Ajou University, Suwon 443-749, South Korea.
authors: Yu Kwon
authors: YK
authors: Kim
authors: ‡Charles University, Faculty of Mathematics and Physics, Department of Surface and Plasma Science, V Holešovičkách 2, 18000 Prague 8, Czech Republic.
authors: Vladimír
authors: V
authors: Matolín
authors: †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.
authors: Bruce D
authors: BD
authors: Kay
authors: †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.
authors: Roger
authors: R
authors: Rousseau
authors: †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.
authors: Zdenek
authors: Z
authors: Dohnálek
keywords: DFT; IRAS; TPD; dehydration; nanoporous films; tungsten trioxide