O-M-Seg-14 First-principles Based Analysis of Formic Acid as a Sustainable Material for Hydrogen Storage

Monday, June 3, 2013: 4:20 PM
Segell (Galt House Hotel)
Jong Suk Yoo1, Felix Studt2, Frank Abild-Pedersen2, Adam C. Lausche2 and Jens K. NÝrskov1,2, (1)Stanford University, USA, (2)SLAC National Accelerator Laboratory, USA.
First-principles analysis was used to gain insights into the energetics and kinetics of formic acid decomposition for Ag, Cu, Pd, Pt and Rh. The activities and selectivities of the other metals were then predicted based on scaling and Brønsted-Evans-Polanyi relationships. These predicted trends were finally compared to experimental observations.

Extended Abstracts: