A model was developed for proton mobility in the amorphous oxide. Theoretical first-principles calculations were performed in order to test this model by obtaining pathways and activation energies for proton motion. The mechanism of proton transport in the amorphous oxide was studied by means of first-principles modelling. The value which was deduced, for the first time, for the activation energy of this process provided a theoretical confirmation of the experimental estimates and showed that the major contribution to the mechanism was associated with a simple hopping process. However, improved cluster models were expected to be needed in order to provide more quantitative estimates of tunnelling effects.

Proton Mobility in a-SiO2. H.A.Kurtz, S.P.Karna: IEEE Transactions on Nuclear Science, 1999, 46[6], 1574-7