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Tuning anti-site defect density in perovskite-BaLiF 3 via ball-milling/heating-cycling

DOI: 10.1021/acs.jpclett.8b01915 DOI Help

Authors: Andre Duvel (University of Kent) , Lucy M. Morgan (University of Kent) , Giannantonio Cibin (Diamond Light Source) , David Pickup (University of Kent) , Alan V. Chadwick (University of Kent) , Paul Heitjans (Leibniz University Hannover) , Dean C. Sayle (University of Kent)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: The Journal Of Physical Chemistry Letters

State: Published (Approved)
Published: August 2018
Diamond Proposal Number(s): 14239

Abstract: The defect density of a material is central to its prop-erties. Here, we show, employing EXAFS measure-ments and MD simulation, how the Ba-Li anti-site defect density of perovskite-structured BaLiF3 nano-particles can be tuned. In particular, we show that ball milling reduces the defect content. Conversely, thermal annealing increases the defect density. The work represents a first step towards tailoring the properties of a material, via defect tuning post syn-thesis.

Subject Areas: Materials, Chemistry


Instruments: B18-Core EXAFS