The solubility of Ba in a new Cs waste form, Cs2TiNb6O18

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  • University of Limerick


We report experimental and computational studies of Ba doping for Cs in Cs2TiNb6O18, a material with potential to be an exceptional ceramic waste form for Cs sequestration. Three co-doping (simultaneous metal reduction for charge balance of Ba2+ for Cs+) schemes have been experimentally tested: Ti4+ for Nb5+, Ti3+ for Ti4+ and Nb4+ for Nb5+. Unfortunately, none showed conclusively that the co-substitution was successful. Atomistic modelling was then performed on all three schemes using novel potentials to assess the energetic feasibility, from these the most favourable scenario is reduction of Nb5+ to Nb4+.


Original languageEnglish
Pages (from-to)723-728
Number of pages6
JournalMRS Advances
Issue number13
Early online date16 Jan 2017
Publication statusPublished - 2017


  • waste management, Cs, simulation