Vacancy and interstitial oxide ion migration in heavily doped La 2-xSr xCoO 4±δ

C Tealdi; C Ferrara; P Mustarelli; M Saiful Islam

doi:10.1039/c2jm30769c

Vacancy and interstitial oxide ion migration in heavily doped La 2-xSr xCoO 4±δ

C Tealdi
, C Ferrara
, P Mustarelli
, M Saiful Islam

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

58 Citations (SciVal)

347 Downloads (Pure)

Abstract

La 2-xSr xCoO 4±δ, a K 2NiF 4-type structured oxide, is currently under investigation for its possible application as a cathode material in solid oxide fuel cells operating at intermediate temperature (IT-SOFCs). Here we report a combined energy minimization and molecular dynamics study of oxygen migration mechanisms in the La 2-xSr xCoO 4±δ material for high Sr levels (x > 0.8). In the oxygen-deficient composition La 0.8Sr 1.2CoO 3.9 the oxide-ion transport mainly occurs through the migration of oxygen vacancies within the perovskite layer of the structure, with possible vacancy paths between adjacent layers. In the oxygen-rich composition La 1.2Sr 0.8CoO 4.1 interstitial oxygen transport is via an interstitialcy mechanism and within the ab plane.

Original language	English
Pages (from-to)	8969-8975
Number of pages	7
Journal	Journal of Materials Chemistry
Volume	22
Issue number	18
DOIs	https://doi.org/10.1039/c2jm30769c
Publication status	Published - 2012

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title = "Vacancy and interstitial oxide ion migration in heavily doped La 2-xSr xCoO 4±δ",

abstract = "La 2-xSr xCoO 4±δ, a K 2NiF 4-type structured oxide, is currently under investigation for its possible application as a cathode material in solid oxide fuel cells operating at intermediate temperature (IT-SOFCs). Here we report a combined energy minimization and molecular dynamics study of oxygen migration mechanisms in the La 2-xSr xCoO 4±δ material for high Sr levels (x > 0.8). In the oxygen-deficient composition La 0.8Sr 1.2CoO 3.9 the oxide-ion transport mainly occurs through the migration of oxygen vacancies within the perovskite layer of the structure, with possible vacancy paths between adjacent layers. In the oxygen-rich composition La 1.2Sr 0.8CoO 4.1 interstitial oxygen transport is via an interstitialcy mechanism and within the ab plane.",

author = "C Tealdi and C Ferrara and P Mustarelli and Islam, \{M Saiful\}",

year = "2012",

doi = "10.1039/c2jm30769c",

language = "English",

volume = "22",

pages = "8969--8975",

journal = "Journal of Materials Chemistry",

issn = "0959-9428",

publisher = "Royal Society of Chemistry",

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TY - JOUR

T1 - Vacancy and interstitial oxide ion migration in heavily doped La 2-xSr xCoO 4±δ

AU - Tealdi, C

AU - Ferrara, C

AU - Mustarelli, P

AU - Islam, M Saiful

PY - 2012

Y1 - 2012

N2 - La 2-xSr xCoO 4±δ, a K 2NiF 4-type structured oxide, is currently under investigation for its possible application as a cathode material in solid oxide fuel cells operating at intermediate temperature (IT-SOFCs). Here we report a combined energy minimization and molecular dynamics study of oxygen migration mechanisms in the La 2-xSr xCoO 4±δ material for high Sr levels (x > 0.8). In the oxygen-deficient composition La 0.8Sr 1.2CoO 3.9 the oxide-ion transport mainly occurs through the migration of oxygen vacancies within the perovskite layer of the structure, with possible vacancy paths between adjacent layers. In the oxygen-rich composition La 1.2Sr 0.8CoO 4.1 interstitial oxygen transport is via an interstitialcy mechanism and within the ab plane.

AB - La 2-xSr xCoO 4±δ, a K 2NiF 4-type structured oxide, is currently under investigation for its possible application as a cathode material in solid oxide fuel cells operating at intermediate temperature (IT-SOFCs). Here we report a combined energy minimization and molecular dynamics study of oxygen migration mechanisms in the La 2-xSr xCoO 4±δ material for high Sr levels (x > 0.8). In the oxygen-deficient composition La 0.8Sr 1.2CoO 3.9 the oxide-ion transport mainly occurs through the migration of oxygen vacancies within the perovskite layer of the structure, with possible vacancy paths between adjacent layers. In the oxygen-rich composition La 1.2Sr 0.8CoO 4.1 interstitial oxygen transport is via an interstitialcy mechanism and within the ab plane.

UR - https://www.scopus.com/pages/publications/84859867870

UR - http://dx.doi.org/10.1039/c2jm30769c

U2 - 10.1039/c2jm30769c

DO - 10.1039/c2jm30769c

M3 - Article

SN - 0959-9428

VL - 22

SP - 8969

EP - 8975

JO - Journal of Materials Chemistry

JF - Journal of Materials Chemistry

IS - 18

ER -

Vacancy and interstitial oxide ion migration in heavily doped La 2-xSr xCoO 4±δ

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