Abstract
First-principles calculations were used to investigate the phase transition from baddeleyite-type to α-PbO2-type TiO2 during decompression. An intermediate structure was found, and its space group is Pbc21, which is polarized along [001]. The phase transition was mainly caused by oxygen diffusion, which has low activation energy for the phase transition. The activation energy increased as the pressure decreased. These results suggest that rapid decompression and preventing oxygen diffusion would be an effective way of recovering baddeleyite-type TiO2.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
