Coordination Structure of Titanium Ions in Molten LiF-KF Mixture with the Addition of TiO₂ and Bulk Titanium

The difference between Ti(III) and Ti(IV) significantly influences the electrodeposition process of Ti in fluoride melt. In this study, we investigated melt structure LiF-KF with addition TiO 2 for both bulk titanium (Ti 0 ) by combining high-temperature Raman spectroscopic technique density functional theory calculations. spectra were characterized three kinds coordination structures: polyatomic ion-like structures such as F 2− , cation-coordinated [TiF 6 −K] − molecule-like TiOF 3 −K. results showed that K + ions are more likely to form oxyfluorides. We also found without almost completely different bands. information gained study around melts is significant towards titanium-based materials marks an important step further understanding dissolution oxyhalide