Figure Abstract (IMAGE)

Dalian Institute of Chemical Physics, Chinese Academy Sciences

Figure Abstract

Caption

The superior catalytic performance of ZrO2 in catalytic propane dehydrogenation is attributed to be the unsaturated coordination zirconium (Zrcus) near the oxygen vacancy. However, the calculations revealed the double-edged role of oxygen vacancy in reaction, which significantly reduced C-H bond activation barrier but hinder the facile desorption of products due to strong binding. Moreover, the localized electron within oxygen vacancy is identified as the driving force for the C-H bond activation. The complete two different mechanisms are also noted for pristine and defective surfaces which also resulted from the double-edges effects of oxygen vacancy.

Credit

Chinese Journal of Catalysis

Usage Restrictions

open for all

License

Original content

Disclaimer: AAAS and EurekAlert! are not responsible for the accuracy of news releases posted to EurekAlert! by contributing institutions or for the use of any information through the EurekAlert system.