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

DAY, George, CUTTS, Geoffrey L., CHEN, Tzu-Yu, HRILJAC, Joseph A. and GUO, Yina (2017). The solubility of Ba in a new Cs waste form, Cs2TiNb6O18. MRS Advances, 2 (13), 723-728.

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    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+.

    Item Type: Article
    Identification Number:
    Page Range: 723-728
    Depositing User: Tzu-Yu Chen
    Date Deposited: 21 Jun 2018 11:12
    Last Modified: 18 Mar 2021 00:50

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