Jump to main content
Jump to site search

Issue 36, 2016
Previous Article Next Article

Generation of highly reactive oxygen species on metal-supported MgO(100) thin films

Author affiliations

Abstract

The formation of highly reactive oxygen species (ROS) on metal oxide surfaces has attracted considerable interest due to their diverse applications. In this work, we have performed density functional theory calculations to investigate the co-adsorption of oxygen and water on ultrathin MgO(100) films deposited on a Mo(100) substrate. We reveal that molecular oxygen can be completely decomposed stepwise with the assistance of water. Consequently, a series of highly ROS including superoxide, hydroperoxide, hydroxyl and single oxygen adatoms are formed on Mo(100) supported MgO(100) thin films. The reaction barriers accompanied by the generation of ROS are reported, and the influence of the thickness of MgO(100) films is also discussed. The promising routes to produce these species provide valuable information to understand the importance of synergy effects between the substrate, the co-adsorbed species, and the film thickness in multiphase catalyst design.

Graphical abstract: Generation of highly reactive oxygen species on metal-supported MgO(100) thin films

Back to tab navigation

Supplementary files

Article information


Submitted
12 May 2016
Accepted
16 Aug 2016
First published
17 Aug 2016

Phys. Chem. Chem. Phys., 2016,18, 25373-25379
Article type
Paper

Generation of highly reactive oxygen species on metal-supported MgO(100) thin films

Z. Song, J. Fan, Y. Shan, A. M. C. Ng and H. Xu, Phys. Chem. Chem. Phys., 2016, 18, 25373
DOI: 10.1039/C6CP03236B

Social activity

Search articles by author

Spotlight

Advertisements