Adsorption over a B2FeTiFe (111) surface and a study of the influence of Pt pre-adsorbed

VERDINELLI V,GERMÁN E,JASEN P,GONZALEZ E,JUAN A,MARCHETTI J

Villa Carlos Paz, Cordoba

Congreso; 97ª Reunión Nacional de la Asociación Física Argentina; 2012

Asociación Física Argentina

Due to decrease of the petroleum reserves and the increase of the consumption of fuels, hydrogen as an energetic vector appears as a key element in tomorrow?s sustainable society. However, one of the greatest challenges consists in developing a technology capable of storage hydrogen in an efficient, reversible and cheap way. Among the intermetallic alloy of the type AB, the alley FeTi appears as one of the most promising alternatives due to its hydrogen storage capacity of 1,9wt %, its low cost and its properties of having a reversibility characteristic for adsorption-desorption of hydrogen. In this work, a B2-FeTiFe surface was employed to study the interactions of different amount of platinum and/or hydrogen. Studies over the effect of 2, 3 and a layer of Pt were performed. For each of these scenarios, hydrogen adsorptions studies were done. Minima energy location for both materials was determined. Research on the density of state (DOS) and the bonding properties among the surface and the adsorbents were performed.