Details
| Original language | English |
|---|---|
| Pages (from-to) | 5121-5124 |
| Number of pages | 4 |
| Journal | Journal of Physical Chemistry Letters |
| Volume | 9 |
| Issue number | 17 |
| Early online date | 17 Aug 2018 |
| Publication status | Published - 6 Sept 2018 |
Abstract
The defect density of a material is central to its properties. Here, we show, employing EXAFS measurements and MD simulation, how the Ba-Li antisite defect density of perovskite-structured BaLiF3 nanoparticles 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 toward tailoring the properties of a material via defect tuning postsynthesis.
ASJC Scopus subject areas
- Materials Science(all)
- General Materials Science
- Chemistry(all)
- Physical and Theoretical Chemistry
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In: Journal of Physical Chemistry Letters, Vol. 9, No. 17, 06.09.2018, p. 5121-5124.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Tuning Antisite Defect Density in Perovskite-BaLiF3 via Cycling between Ball Milling and Heating
AU - Düvel, André
AU - Morgan, Lucy M.
AU - Cibin, Giannantonio
AU - Pickup, David
AU - Chadwick, Alan V.
AU - Heitjans, Paul
AU - Sayle, Dean C.
N1 - Funding Information: We would like to thank A. Feldhoff, J. Caro, and E. McCabe for access to their X-ray diffractometers. We thank Diamond Light Source for the award of beam time on B18 as part of the Energy Materials Block Allocation Group under proposal SP14239. A.D. is grateful for financial support by the German Research Foundation (DFG), DU 1668 1-1/2. We would also like to thank the UK Materials and Molecular Modelling Hub for computational ressources which are partially funded by EPSRC (EP/P020194). Publisher Copyright: © 2018 American Chemical Society. Copyright: Copyright 2018 Elsevier B.V., All rights reserved.
PY - 2018/9/6
Y1 - 2018/9/6
N2 - The defect density of a material is central to its properties. Here, we show, employing EXAFS measurements and MD simulation, how the Ba-Li antisite defect density of perovskite-structured BaLiF3 nanoparticles 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 toward tailoring the properties of a material via defect tuning postsynthesis.
AB - The defect density of a material is central to its properties. Here, we show, employing EXAFS measurements and MD simulation, how the Ba-Li antisite defect density of perovskite-structured BaLiF3 nanoparticles 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 toward tailoring the properties of a material via defect tuning postsynthesis.
UR - http://www.scopus.com/inward/record.url?scp=85052907053&partnerID=8YFLogxK
U2 - 10.1021/acs.jpclett.8b01915
DO - 10.1021/acs.jpclett.8b01915
M3 - Article
C2 - 30119609
AN - SCOPUS:85052907053
VL - 9
SP - 5121
EP - 5124
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
SN - 1948-7185
IS - 17
ER -