| AVS 59th Annual International Symposium and Exhibition | |
| Energy Frontiers Focus Topic | Thursday Sessions |
| Session EN+NS-ThM |
| Session: | Batteries and Fuel Cells |
| Presenter: | S. Stolbov, University of Central Florida |
| Authors: | S. Stolbov, University of Central Florida M. Alcantara Ortigoza, University of Central Florida |
| Correspondent: | Click to Email |
The large-scale commercial application of hydrogen fuel cells requires efficient and cost-effective electrocatalysts for the oxygen reduction reaction (ORR), which occurs on the cathode. We demonstrate that rational design can render electrocatalysts possessing both virtues. In this work, by unifying the knowledge on surface morphology, composition, electronic structure and reactivity, we find that tri-metallic sandwich-like structures are an excellent choice for optimization. Their constituting species are designed to couple synergistically rendering reaction-environment stability, cost-effectiveness and high catalytic activity. This cooperative-action concept enabled us to predict two Pt-free ORR electrocatalysts: Pd/Fe/W(110) and Au/Ru/W(110) [1]. Density functional theory calculations of the reaction free-energy diagrams indicate that these materials are more active toward ORR than the so far best Pt-based catalysts.
1. S. Stolbov and M. Alcántara Ortigoza; J. Phys. Chem. Letts. 3, 463 (2012)