OC04 First principles guided design of borohydride oxidation electrocatalysts

Monday, June 6, 2011: 11:00 AM
Cartier Ballroom (Detroit Marriott Hotel at the Renaissance Center )
Michael Janik and Gholamreza Rostamikia, Chemical Engineering, Pennsylvania State University, University Park, PA
DFT methods guided design of a binary metal electrocatalyst for increased borohydride electro-oxidation activity.  These improved catalysts may enable the use of DBFCs for portable power applications.  The first-principles guided design of an electrocatalyst was demonstrated starting from mechanism determination through binary metal screening and was corroborated by experimental testing.

Extended Abstracts: