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

Research output: Contribution to journalArticle

Standard

The solubility of Ba in a new Cs waste form, Cs2TiNb6O18. / Day, George; Cutts, Geoffrey L.; Chen, Tzu Yu; Hriljac, Joseph A.; Guo, Yina.

In: MRS Advances, Vol. 2, No. 13, 2017, p. 723-728.

Research output: Contribution to journalArticle

Harvard

APA

Vancouver

Author

Day, George ; Cutts, Geoffrey L. ; Chen, Tzu Yu ; Hriljac, Joseph A. ; Guo, Yina. / The solubility of Ba in a new Cs waste form, Cs2TiNb6O18. In: MRS Advances. 2017 ; Vol. 2, No. 13. pp. 723-728.

Bibtex

@article{51971ad83ccc4adaa91d96de3a84b0f1,
title = "The solubility of Ba in a new Cs waste form, Cs2TiNb6O18",
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 management, Cs, simulation",
author = "George Day and Cutts, {Geoffrey L.} and Chen, {Tzu Yu} and Hriljac, {Joseph A.} and Yina Guo",
year = "2017",
doi = "10.1557/adv.2017.52",
language = "English",
volume = "2",
pages = "723--728",
journal = "MRS Advances",
issn = "2059-8521",
publisher = "Cambridge University Press",
number = "13",

}

RIS

TY - JOUR

T1 - The solubility of Ba in a new Cs waste form, Cs2TiNb6O18

AU - Day, George

AU - Cutts, Geoffrey L.

AU - Chen, Tzu Yu

AU - Hriljac, Joseph A.

AU - Guo, Yina

PY - 2017

Y1 - 2017

N2 - 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+.

AB - 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+.

KW - waste management

KW - Cs

KW - simulation

UR - http://www.scopus.com/inward/record.url?scp=85041294333&partnerID=8YFLogxK

U2 - 10.1557/adv.2017.52

DO - 10.1557/adv.2017.52

M3 - Article

AN - SCOPUS:85041294333

VL - 2

SP - 723

EP - 728

JO - MRS Advances

JF - MRS Advances

SN - 2059-8521

IS - 13

ER -