Title of article :
Quantum chemical analysis of hydrogen isotopes in lithium oxide
Author/Authors :
Tanigawa، نويسنده , , Hisashi and Tanaka، نويسنده , , Satoru، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2002
Abstract :
In order to clarify the existing states and the diffusion process of hydrogen isotopes in Li2O, the quantum chemical analysis has been conducted especially emphasising interaction with charged defects such as F-centers. Using two calculation codes based on different theories, treatment of charged defects was discussed. From the comparison with FT-IR or diffusion model studies, the interaction of hydrogen isotopes with defects was explained taking electron transfer between them into consideration.
Keywords :
Li2O , Defects , Quantum chemical analysis , Hydrogen isotopes
Journal title :
Fusion Engineering and Design
Journal title :
Fusion Engineering and Design