Type of Publication
Year of Publication
2010
Authors

S. Simonetti; R. Saravia; G. Brizuela; A. Juan

Abstract

Fuel cell vehicles have been identified as the personal transportation technology of the future because of their high efficiency and very low emissions. To achieve the goal of road-ready fuel cell vehicles, great strides must be made in the development of fuel cells, hydrogen production and hydrogen storage technologies, that includes metal-H interaction studies and safety considerations. The interaction between two-hydrogen atoms and a gamma-Fe structure containing a vacancy has been studied using a cluster model and a theoretical method. For the study of the sequential absorption, the hydrogen atoms were positioned in their energy minima configurations, near the vacancy. The interactions mainly involve Fe 4s-H 1s atomic orbitals. The contribution of Fe 4p and Fe 3d orbitals is much less important. The Fe-Fe bond is weakened as new Fe-H-H and H-H pairs were formed. The effect of H atoms is limited to its first Fe neighbors. The Fe-Fe bond strength decreases with the introduction of the H atoms. Fe-H bonding is achieved at expense of weakening the metal-metal nearest bonds. There is not a real bond between the H atoms but some H-H interaction is observed. The detrimental effect of H atoms on the Fe-Fe bonds can be related to one of the aspect of embrittlement in gamma-Fe. (C) 2009 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved.

DOI

10.1016/j.ijhydene.2009.12.100

Volume

35

Notes

Times Cited: 7 Si 3rd Argentinean and 2nd Latin American Conference on Hydrogen and Sustainable Energy Sources Jun 08-12, 2009 San Juan, ARGENTINA Inst energy & Sustainable Dev; Govt San Juan; San Juan Natl Univ, Elect Energy Inst EngnFac; Natl Technol Univ 8

Pagination

5957-5962

Number
11
ISSN Number

0360-3199