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

Research output: Contribution to journalArticle

Authors

Colleges, School and Institutes

External organisations

  • University of Limerick

Abstract

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+.

Details

Original languageEnglish
Pages (from-to)723-728
Number of pages6
JournalMRS Advances
Volume2
Issue number13
Early online date16 Jan 2017
Publication statusPublished - 2017

Keywords

  • waste management, Cs, simulation