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OUTGASSING OF HYDROGEN M. Leisch

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Institute of Solid State Physics<br />

Role of vacancies<br />

Recently performed theoretical studies and simulations<br />

on the interaction of hydrogen with lattice<br />

imperfections by Alfredo Juan provide a new insight.<br />

Energy calculations using ASED method (Atom<br />

Superposition and Electron Delocalization) result in<br />

lower energy levels in tetrahedral sites in Fe<br />

vacancies*.<br />

Surface and subsurface defects are forming traps with<br />

lower energetic levels<br />

* D. Rey Saravia, A. Juan, G. Brizuela, S. Simonetti, J Hydrogen Energy 34(2009)8302<br />

Professor Manfred <strong>Leisch</strong> Horst Cerjak, 19.12.2005 63rd IUVSTA Workshop Avila September 17, 2010<br />

35

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