Interaction of Hydrogen Isotopes with Defects in Li₂O

We have investigated the interaction between hydrogen isotopes and defects in Li₂O, using Fourier transform infrared absorption spectroscopy (FT-IR). Multiple peaks were observed in the O–D stretching vibration region with Li₂O single crystals which were treated by thermal absorption and quenching. These peaks had different dependence on temperature and were attributable to the stretching vibrations of O–D in bulk Li₂O with or without defects. We have also studied the nature of hydrogen isotopes in Li₂O with defects by the ab-initio quantum chemical calculation technique. The influence of defects on hydroxyl groups is discussed.