Atomistic scale investigation of cation ordering and phase stability in Cs-substituted Ba(1.33)Zn(1.33)Ti(6.67)O(16), Ba(1.33)Ga(2.66)Ti(5.67)O(16) and Ba(1.33)Al(2.66)Ti(5.33)O(16) hollandite

The titanate-based hollandite structure is proposed as an effective ceramic waste form for Cs-immobilization. In this study, quantum-mechanical calculations were used to quantify the impact of A-site and B-site ordering on the structural stability of hollandite with compositions Ba(x)Cs(y)(M(z)Ti(8-...

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Detalles Bibliográficos
Autores principales: Wen, Yi, Xu, Yun, Brinkman, Kyle S., Shuller-Nickles, Lindsay
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5864749/
https://www.ncbi.nlm.nih.gov/pubmed/29567965
http://dx.doi.org/10.1038/s41598-018-22982-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5864749/
https://www.ncbi.nlm.nih.gov/pubmed/29567965
http://dx.doi.org/10.1038/s41598-018-22982-7

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