O-Th-408-19 Multi-Scale Investigation of Cluster-Support Interactions Impacting Hydrocarbon Activation on Pd/Ceria

Thursday, June 18, 2015: 5:00 PM
408-410 (Lawrence Convention Center)
Thomas Senftle1, Michael Janik1 and Adri van Duin2, (1)The Pennsylvania State University, USA, (2)Pennsylvania State University, USA.
We employ multi-scale simulation techniques to determine the unique nature of the Pd/ceria interface. This approach can be readily extended to other supported systems, where the stability of the active site is dependent on temperature and pressure in the reactant phase.

Extended Abstracts:

See more of: Kinetics, and reaction pathways
See more of: Catalyst Modelling and Simulation
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