P-Mo-84 Formic acid decomposition on Pt and Pd: Trends through Density Functional Theory studies

Monday, June 6, 2011
Ontario Exhibit Hall (Detroit Marriott Hotel at the Renaissance Center )
Jessica Scaranto1, Jeffrey A. Herron1 and Manos Mavrikakis2, (1)Chemical & Biological Engineering, University of Wisconsin-Madison, Madison, WI, (2)Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, WI
Here we present the main results obtained from periodic, self-consistent DFT calculations concerning the gas-phase decomposition of HCOOH on Pt and Pd surfaces. The results will be discussed in the context of thermochemistry trends for the same reaction on a number of other late transition metal closed-packed surfaces.

Extended Abstracts:

See more of: Monday Poster Session: Emerging Issues
See more of: Emerging Issues: Novel Materials, Theory, and Experimental Methods
<< Previous Abstract | Next Abstract >>