O-M-Seg-10 Insight into Au Catalysis on Reducible Oxide Supports from AIMD Simulation at Finite Temperature

Monday, June 3, 2013: 2:30 PM
Segell (Galt House Hotel)
Yang-Gang Wang1,2, Yeohoon Yoon1, Vassiliki-Alexandra Glezakou1, Roger Rousseau1 and Jun Li2, (1)Pacific Northwest National Laboratory, USA, (2)Tsinghua University, China.
This work will elucidate how the finite temperature dynamics of metal particles and substrate/metal particle charge transfer contribute to the catalytic activity of Au nanoparticles towards the CO oxidation reaction. It provides fundamental answers to the questions arising from metal particle/reducible oxide support charge transfer and its role in catalysis.

Extended Abstracts:

See more of: Advances in Computational Catalysis II
See more of: Computational Catalysis
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