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Summary: Dehydrogenation of pure and Ti-doped Na3AlH6 surfaces
from first principles calculations
Monica Pozzo a,b,
*, Dario Alfe` a,b,c,d
a
Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT, United Kingdom
b
Thomas Young Centre@UCL, University College London, Gower Street, London WC1E 6BT, United Kingdom
c
Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom
d
London Centre for Nanotechnology, University College London, 17-19 Gordon Street, London WC1H 0AH, United Kingdom
a r t i c l e i n f o
Article history:
Received 9 April 2011
Received in revised form
6 September 2011
Accepted 11 September 2011
Available online 5 October 2011
Keywords:
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