OC13 Electrooxidation of ethanol on Rh-based catalysts: Theoretical and experimental studies

Monday, June 6, 2011: 4:00 PM
Cartier Ballroom (Detroit Marriott Hotel at the Renaissance Center )
YongMan Choi1, Meng Li1, Radoslav R. Adzic2 and Ping Liu1, (1)Chemistry Department, Brookhaven National Laboratory, Upton, NY, (2)Chemistry, Brookhaven National Laboratory, Upton, NY
We employed density functional theory (DFT) together with kinetic Monte Carlo (kMC) simulations to clarify the ethanol decomposition reactions on Rh-based catalysts, while using in situ infrared reflection absorption spectroscopy (IRRAS) and electrochemical measurements to determine the reaction pathways and intermediates.

Extended Abstracts: