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A model for the electrical activity of hydrogen in almost any material - semiconductor, insulator and even aqueous solution - has been developed by Chris G Van de Walle of the Palo Alto Research Center (PARC) and J Neugebauer of Berlins Fritz Haber Institut der Max Planck Gesellschaft (Nature, June 5, 2003).

The model only needs some basic information about
the electronic band structure of the host material.


The theoretical presentation provides a physical explanation that connects
the behaviour of hydrogen to the line-up of electronic band structures at
heterojunctions. The researchers use the local density approximation and the
pseudo-potential-plane-wave method of density functional theory.


The scientists believe that a better understanding of hydrogen in solids is
needed to support improved high-permittivity dielectrics (high-k in the semi
world) for ICs, hydrogen storage systems and proton-exchange membranes for
fuel cells.



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