Hostname: page-component-586b7cd67f-vdxz6 Total loading time: 0 Render date: 2024-11-28T03:30:52.907Z Has data issue: false hasContentIssue false
  • English
  • Français

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])
Get access

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 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

Chen, T.-Y., Hriljac, J. A., Gandy, A. S., Stennett, M. C., Hyatt, N. C. and Maddrell, E. R., Scientific Basis for Nuclear Waste Management XXXVI, MRS Symp. Proc. 1518, 67–72 (2013).Google Scholar
Ringwood, A., Mineralogical Magazine. 49, 159–176 (1985).Google Scholar
Leinekugel-le-Cocq, A. Y., Deniard, P., Jobic, S., Cerny, R., Bart, F., and Emerich, H., J. Solid State Chem.179, 3196–3208 (2006).CrossRefGoogle Scholar
Larson, A.C. and Von Dreele, R.B., "General Structure Analysis System (GSAS)", Los Alamos National Laboratory Report LAUR 86-748 (2000).Google Scholar
Toby, B. H., EXPGUI, a graphical user interface for GSAS, Journal of Applied Crystallography. 34, 210–213 (2001).CrossRefGoogle Scholar
Cutts, Geoffrey, PhD thesis, University of Birmingham.Google Scholar
Gale, J. D. and Rohl, A. L., Molecular Simulation. 29, 291–341 (2003).Google Scholar
Mott, F. N. and Littleton, M. J., Transactions of the Faraday Society 34, 485–499 (1938).Google Scholar