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The Solubility of Ba in a New Cs Waste Form, Cs2TiNb6O18

Published online by Cambridge University Press:  16 January 2017

George Day ,
Geoffrey L. Cutts ,
Tzu-Yu Chen ,
Joseph A. Hriljac  and
Yina Guo
George Day*
Affiliation:
School of Chemistry, University of Birmingham, Edgbaston, Birmingham, B15 2TT, UK
Geoffrey L. Cutts
Affiliation:
School of Chemistry, University of Birmingham, Edgbaston, Birmingham, B15 2TT, UK
Tzu-Yu Chen
Affiliation:
School of Chemistry, University of Birmingham, Edgbaston, Birmingham, B15 2TT, UK
Joseph A. Hriljac
Affiliation:
School of Chemistry, University of Birmingham, Edgbaston, Birmingham, B15 2TT, UK
Yina Guo
Affiliation:
Materials and Surface Science Institute, University of Limerick, Sreelane, Limerick, Ireland
*
*(Email: [email protected])
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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+.

Keywords

waste managementCssimulation
Type
Articles
Information
MRS Advances , Volume 2 , Issue 13: Scientific Basis for Nuclear Waste Management XL , 2017 , pp. 723 - 728
Copyright
Copyright © Materials Research Society 2017 

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References

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