A theoretical study was made of hydroxyl vacancies in aluminogermanate singlewalled

metal-oxide nanotubes. Defects were introduced on both sides of the tube

walls, and this led to occupied and empty states in the band-gap which were highly

localized both in energy and real space. Different magnetization states were found,

depending upon both the chemical composition and the specific side with respect to

the tube cavity. Defect-induced perturbations of the pristine electronic structure

were related to electrostatic polarization across the tube walls and to the resultant

change in Lewis acid–base reactivity.

Hydroxyl Vacancies in Single-Walled Aluminosilicate and Aluminogermanate

Nanotubes. G.Teobaldi, N.S.Beglitis, A.J.Fisher, F.Zerbetto, W.A.Hofer: Journal

of Physics - Condensed Matter, 2009, 21[19], 195301