Quantum molecular dynamics simulations were used to study this lattice. It was found that, at high temperatures, O-Ce-O bending modes predominantly determined the O separation coordinate; which was considered to be responsible for modulation of the proton transfer potential. It was also expected that this frequency would coincide with the attempt frequency for proton conduction. In the case of low proton excitations, the proton dynamics were found to involve hydroxide ions which rotated around the O atom in a plane that was perpendicular to the Ce-O-Ce axis.

W.Münch, G.Seifert, K.D.Kreuer, J.Maier: Solid State Ionics, 1996, 86-88[1], 647-52