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Updated: Apr 25, 2026

Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing
Published on: June 9, 2023
Compositional tuning of structural stability of lithiated cubic titania via a vacancy-filling mechanism under high
Hui Xiong1, Handan Yildirim1, Paul Podsiadlo1
1Center for Nanoscale Materials, Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, Illinois 60439, USA.
Abstract:
Experimental and theoretical studies on the compositional dependence of stability and compressibility in lithiated cubic titania are presented. The crystalline-to-amorphous phase transition pressure increases monotonically with Li concentration (from ∼17.5 GPa for delithiated to no phase transition for fully lithiated cubic titania up to 60 GPa). The associated enhancement in structural stability is postulated to arise from a vacancy filling mechanism in which an applied pressure drives interstitial Li ions to vacancy sites in the oxide interior. The results are of significance for understanding mechanisms of structural response of metal oxide electrode materials at high pressures as well as emerging energy storage technologies utilizing such materials.
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