Browsing by Author "Whittle, KL"

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    Radiation tolerance of A2Ti2O7 materials - a question of bonding?
    (Cambridge University Press/Springer Nature, 2007) Whittle, KL; Lumpkin, GR; Smith, KL; Blackford, MG; Harvey, EJ; Zaluzec, NJ
    The resistance of Ln2Ti2O7 (Ln=lanthanide) compounds to radiation damage is an important topic in the understanding and development of new materials by which radioactive nuclear waste can safely be immobilised. A model has been developed, from previously published density functional theory and molecular orbital theory simulations of the band structure for Ln2Ti2O7 materials. This model provides a chemical interpretation of radiation stability. © 2007 Materials Research Society