Catalysis Today
Catalysis Today
5 years ago

Mechanistic study for enhanced CO oxidation activity on (Mn,Fe) co-doped CeO2(111)

Mechanistic study for enhanced CO oxidation activity on (Mn,Fe) co-doped CeO2(111)
Owing to the unique properties such as facile redoxability and high stability, ceria has been used for a wide range of applications including automotive emission control, catalytic combustion, hydrocarbon reforming, and electrocatalytic reactions. It is well known that enhanced chemical reactivity can be achieved on transition metal (TM)-doped ceria nano-catalysts. In particular, co-doping of TM on CeO2 surface has recently opened a great potential to improve the catalytic activity compared to the single doped one. In this study, we performed DFT calculations to compare the activity of CO oxidation between Mn-, Fe-, and (Mn,Fe)-doped CeO2(111) via Mars-van Krevelen (MvK) mechanism. We firstly verified that a conventional linear relationship between oxygen vacancy formation energy and the catalytic activity of CO oxidation is also effective for the co-doped CeO2(111). It turns out that the energy required to create oxygen vacancy (Evf), that is a key descriptor of the reactivity, will be extremely useful to rapidly screen the catalytic activity on co-doped oxide system. Then, we investigated the entire reaction profile of CO oxidation via the MvK mechanism on Fe-, Mn- and (Mn,Fe)-doped CeO2(111). Based on the results, we confirmed the improved activity of CO oxidation on the co-doped system, which was in good agreement with the prediction from Evf. From this study, we believe that the co-doping of TM on oxide catalysts will be a noble strategy to enhance the catalytic activity.

Publisher URL: www.sciencedirect.com/science

DOI: S0920586116308070

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.