"Characterization of hydrogen in metallic alloys suitable for electrolysis" HYFUSEN 2011 Special Issue

J. L. GERVASONI; S. SEGUI; G. SPAZZAFUMO

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

PERGAMON-ELSEVIER SCIENCE LTD

Lugar: Amsterdam; Año: 2012 vol. 37 p. 14753 - 14756

0360-3199

In this work we determine some fundamental microscopic and macroscopic properties of metals and metallic alloysehydrogen systems. We deal with simple hydride such as LiH, NaH e CaH2, which react with water producing hydrogen.Using a calculus program based on the density functional formalism, we obtain values of important properties in the determination of the behaviour of the system, such as the variation of the electronic density and of the induced density of states due to the presence of hydrogen in the matrix.The general features of these methods are discussed and the corresponding results are compared with experimental data.