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

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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.",

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year = "2012",

doi = "10.1039/c2jm30769c",

language = "English",

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journal = "Journal of Materials Chemistry",

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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.

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U2 - 10.1039/c2jm30769c

DO - 10.1039/c2jm30769c

M3 - Article

SN - 0959-9428

VL - 22

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EP - 8975

JO - Journal of Materials Chemistry

JF - Journal of Materials Chemistry

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ER -

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

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