Edge dislocation slows down oxide ion diffusion in doped CeO2 by segregation of charged defects

Lixin Sun, Dario Marrocchelli and Bilge Yildiz ()
Additional contact information
Lixin Sun: Laboratory for Electrochemical Interface, Massachusetts Institute of Technology
Dario Marrocchelli: Laboratory for Electrochemical Interface, Massachusetts Institute of Technology
Bilge Yildiz: Laboratory for Electrochemical Interface, Massachusetts Institute of Technology

Nature Communications, 2015, vol. 6, issue 1, 1-10

Abstract: Abstract Strained oxide thin films are of interest for accelerating oxide ion conduction in electrochemical devices. Although the effect of elastic strain has been uncovered theoretically, the effect of dislocations on the diffusion kinetics in such strained oxides is yet unclear. Here we investigate a 1/2 {100} edge dislocation by performing atomistic simulations in 4–12% doped CeO2 as a model fast ion conductor. At equilibrium, depending on the size of the dopant, trivalent cations and oxygen vacancies are found to simultaneously enrich or deplete either in the compressive or in the tensile strain fields around the dislocation. The associative interactions among the point defects in the enrichment zone and the lack of oxygen vacancies in the depletion zone slow down oxide ion transport. This finding is contrary to the fast diffusion of atoms along the dislocations in metals and should be considered when assessing the effects of strain on oxide ion conductivity.

Date: 2015
References: Add references at CitEc
Citations: View citations in EconPapers (1)

Downloads: (external link)
https://www.nature.com/articles/ncomms7294 Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:6:y:2015:i:1:d:10.1038_ncomms7294

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/ncomms7294

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().