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research article
Ab initio study of charged states of H in amorphous SiO2
We carried out an ab initio investigation of the charged states of hydrogen in amorphous SiO2 using a previously generated model structure. We found a large variety of equilibrium configurations as a result of the disordered atomic structure in our model system. The formation energies of H-0, H+ and H- remain nevertheless close to the energetics found for a-quartz, with the charged species always more stable than the neutral one irrespective of the electron Fermi level.
Type
research article
Web of Science ID
WOS:000231517000065
Authors
Publication date
2005
Published in
Volume
80
Start page
288
End page
291
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
October 8, 2009
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