The Open UniversitySkip to content
 

Oxygen diffusion in Sr0.75Y0.25CoO2.625: a molecular dynamics study

Rupasov, D.; Chroneos, A.; Parfitt, D.; Kilner, J. A.; Grimes, R. W.; Istomin, S. Ya. and Antipov, E. V. (2009). Oxygen diffusion in Sr0.75Y0.25CoO2.625: a molecular dynamics study. Physical Review B (Condensed Matter and Material Physics), 79(17) p. 172102.

Full text available as:
[img]
Preview
PDF (Version of Record) - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader
Download (301kB) | Preview
URL: http://prb.aps.org/abstract/PRB/v79/i17/e172102
DOI (Digital Object Identifier) Link: https://doi.org/10.1103/PhysRevB.79.172102
Google Scholar: Look up in Google Scholar

Abstract

Oxygen diffusion in Sr0.75Y0.25CoO2.625 is investigated using molecular dynamics simulations in conjunction with an established set of Born model potentials. We predict an activation energy of diffusion for 1.56 eV in the temperature range of 1000-1400 K. We observe extensive disordering of the oxygen ions over a subset of lattice sites. Furthermore, oxygen ion diffusion both in the a-b plane and along the c axis requires the same set of rate-limiting ion hops. It is predicted that oxygen transport in Sr0.75Y0.25CoO2.625 is therefore isotropic.

Item Type: Journal Item
Copyright Holders: 2009 The American Physical Society
ISSN: 1550-235X
Extra Information: 4 pp.
Academic Unit/School: Faculty of Science, Technology, Engineering and Mathematics (STEM) > Engineering and Innovation
Faculty of Science, Technology, Engineering and Mathematics (STEM)
Item ID: 35183
Depositing User: Alexander Chroneos
Date Deposited: 31 Oct 2012 16:29
Last Modified: 06 Oct 2016 16:43
URI: http://oro.open.ac.uk/id/eprint/35183
Share this page:

Altmetrics

Download history for this item

These details should be considered as only a guide to the number of downloads performed manually. Algorithmic methods have been applied in an attempt to remove automated downloads from the displayed statistics but no guarantee can be made as to the accuracy of the figures.

Actions (login may be required)

Policies | Disclaimer

© The Open University   contact the OU