An investigation was made, of the bonding of H in O vacancies, by using density functional calculations. It was found that H was anionic and did not form multi-center bonds with Zn in this material.

Bonding of H in O Vacancies of ZnO - Density Functional Calculations. H.Takenaka, D.J.Singh: Physical Review B, 2007, 75[24], 241102 (4pp)