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Tuning anti-site defect density in perovskite-BaLiF 3 via ball-milling/heating-cycling
DOI:
10.1021/acs.jpclett.8b01915
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