The Open Inorganic Chemistry Journal
2008, 2 : 34-38Published online 2008 March 24. DOI: 10.2174/1874098700802010034
Publisher ID: TOICJ-2-34
Catalytic Properties of Pd70Co20Mo10 and a Comparison of its Experimental and Theoretical Structure
Facultad de Ciencias Físico-Matemáticas, UANL, Monterrey, México, Pedro de Alba S/N, Ciudad
Universitaria, C.P. 66450, San Nicolás de los Garza, N.L. México.
ABSTRACT
Results obtained by computer modeling and simulation using ab-initio and molecular dynamics techniques for elucidation of structural and catalytic properties of the PdCoMo trimetallic compound are reported; a comparison of these results with those obtained by sputtering deposition onto a nafion membrane to be used as catalyst for a 1KW PEM fuel cell is made. Structure was calculated by ab-initio methods and experimentally determined by XRD and AFM techniques. Catalytic properties were calculated by ab-initio and molecular dynamics techniques, and experimentally determined directly on a 1 KW PEM fuel cell.