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oai:figshare.com:article/34025329 2026-09-29T17:13:33Z category_1 category_7 category_24 category_272 category_873 category_39 category_45 category_135 portal_63 item_type_6 month_year_09_2026

Enthalpic Stabilization of CeTi₂O₆ by Ce(III)‑V_O Inclusion Natalie S. Yaw (25138129) Malin C. Dixon Wilkins (9750277) Olivia Bahhage (25138132) John S. McCloy (1931311) Xiaofeng Guo (236612) Biophysics Medicine Evolutionary Biology Environmental Sciences not elsewhere classified Chemical Sciences not elsewhere classified Ecology Sociology Computational Biology investigate thermodynamic properties also highly refractory ray absorption spectroscopy designing waste forms iii )‑ v iii )- v used nuclear fuel 2 </ sub increased stability driven 6 </ sub waste form ray diffraction 6 –< </ sub wide range thermogravimetric analysis systematically tracking rigorously characterized rational design particularly important mineral analogue lanthanide substitutions inclusion brannerite generated interest findings highlight enthalpic contributions driven changes containing materials ceramic materials cation substitutions brannerite structure brannerite materials balancing substitutions Brannerite (UTi₂O₆) is a mineral analogue that is both flexible to a wide range of actinide/lanthanide substitutions and is also highly refractory; thus, it has generated interest as a waste form for used nuclear fuel (UNF). Given the wide range of elements in UNF, systematically tracking how compositional changes map onto changes in stability will guide the rational design of waste forms like brannerite. Changes in valence state, not just cation substitutions, are particularly important for actinide-containing materials, and the brannerite structure is flexible to a variety of charge-balancing substitutions. To isolate the impact of valence contributions to (de)stabilization of brannerite materials, a series of Ce(III/IV)Ti₂O_6–<i>x</i> ceramics were synthesized for study. Their compositions and structures were rigorously characterized by X-ray absorption spectroscopy, X-ray diffraction, and thermogravimetric analysis. High temperature oxide melt drop solution calorimetry was used to investigate thermodynamic properties: 20% coupled Ce(III)-V_O resulted in increased stability driven by enthalpic contributions. These findings highlight that valence-driven changes in stability are factors that must be considered when designing waste forms or other ceramic materials with longevity in mind. 2026-09-29T00:00:00Z Text Journal contribution 10.1021/acs.inorgchem.6c02846.s001 https://figshare.com/articles/journal_contribution/Enthalpic_Stabilization_of_CeTi_sub_2_sub_O_sub_6_sub_by_Ce_III_V_sub_O_sub_Inclusion/34025329 CC BY-NC 4.0