Interaction of Hydrogen and Platinum over a B FeTi (110) slab

MARCHETTI J M, JASEN P, GONZALEZ E, BRIZUELA G P, JUAN A

Malargue

Congreso; 95 Reunion AFA 2010; 2010

AFA

Hydrogen storage is a very relevant topic nowadays due to the need of an energy vector that it is clean, renewable and sustainable. Opposite to petroleum derivates fuel, hydrogen does not produce any type of pollution that will increase the green house effect; even more, when it is used in fuel cells, the final product (besides electricity) is water. In this work we present a study of the intereaction of hydrogen and platinum with a metallic B2 FeTi surface. A (110) cristalographics surface was selected and the result compared with others theoretical and experimental works. The minimum energy location was also determinated and the changes in the density of states and bonding are also presented. It was found that the hydrogen is well adsorbed over the surface of the cluseter with and with out the presence of platinum. When metallic platinum is pre adsorbed over the alloy, the presence of hydrogen distance is between the first layer of FeTi and the atom of Pt. The hydrogen locates in a minimum on the energy level. This location varies due to the presence of the Pt over the surface of the alloy.