Tuning Anti-Site Defect Density in Perovskite-BaLiF3 via Ball-Milling/Heating-Cycling

Düvel, A., Morgan, L. M., Cibin, Giannantonio, Pickup, David M., Chadwick, Alan V., Heitjans, Paul, Sayle, Dean C. (2018) Tuning Anti-Site Defect Density in Perovskite-BaLiF3 via Ball-Milling/Heating-Cycling. The Journal of Physical Chemistry Letters, 9 (17). pp. 5121-5124. ISSN 1948-7185. (doi:10.1021/acs.jpclett.8b01915) (KAR id:68748)

XML Word Processing Document (DOCX) Author's Accepted Manuscript Language: English Restricted to Repository staff only
Contact us about this Publication
PDF Author's Accepted Manuscript Language: English
Download this file (PDF/1MB)	Preview
Request a format suitable for use with assistive technology e.g. a screenreader
Official URL: https://doi.org/10.1021/acs.jpclett.8b01915

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.

Item Type:	Article
DOI/Identification number:	10.1021/acs.jpclett.8b01915
Subjects:	Q Science > QD Chemistry > QD478 Solid State Chemistry
Divisions:	Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User:	Dean Sayle
Date Deposited:	21 Aug 2018 12:02 UTC
Last Modified:	04 Jul 2023 11:10 UTC
Resource URI:	https://kar.kent.ac.uk/id/eprint/68748 (The current URI for this page, for reference purposes)

University of Kent Author Information

Düvel, A..

Creator's ORCID:
CReDIT Contributor Roles:

Pickup, David M..

Creator's ORCID:
CReDIT Contributor Roles:

Chadwick, Alan V..

Creator's ORCID:
CReDIT Contributor Roles:

Sayle, Dean C..

Creator's ORCID:	https://orcid.org/0000-0001-7227-9010
CReDIT Contributor Roles:

Depositors only (login required):

Altmetric

Download Statistics

Total unique views for this document in KAR since July 2020. For more details click on the image.