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Effect of strain on the oxygen diffusion in yttria and gadolinia co-doped ceria. / Rushton, M. J. D.; Chroneos, A.; Skinner, S. J.; Kilner, J. A.; Grimes, R. W.

Yn: Solid State Ionics, Cyfrol 230, Rhif SI, 10.01.2013, t. 37-42.

Allbwn ymchwil: Cyfraniad at gyfnodolynErthygl

HarvardHarvard

Rushton, MJD, Chroneos, A, Skinner, SJ, Kilner, JA & Grimes, RW 2013, 'Effect of strain on the oxygen diffusion in yttria and gadolinia co-doped ceria', Solid State Ionics, cyfrol. 230, rhif SI, tt. 37-42. https://doi.org/10.1016/j.ssi.2012.09.015

APA

Rushton, M. J. D., Chroneos, A., Skinner, S. J., Kilner, J. A., & Grimes, R. W. (2013). Effect of strain on the oxygen diffusion in yttria and gadolinia co-doped ceria. Solid State Ionics, 230(SI), 37-42. https://doi.org/10.1016/j.ssi.2012.09.015

CBE

Rushton MJD, Chroneos A, Skinner SJ, Kilner JA, Grimes RW. 2013. Effect of strain on the oxygen diffusion in yttria and gadolinia co-doped ceria. Solid State Ionics. 230(SI):37-42. https://doi.org/10.1016/j.ssi.2012.09.015

MLA

VancouverVancouver

Rushton MJD, Chroneos A, Skinner SJ, Kilner JA, Grimes RW. Effect of strain on the oxygen diffusion in yttria and gadolinia co-doped ceria. Solid State Ionics. 2013 Jan 10;230(SI):37-42. https://doi.org/10.1016/j.ssi.2012.09.015

Author

Rushton, M. J. D. ; Chroneos, A. ; Skinner, S. J. ; Kilner, J. A. ; Grimes, R. W. / Effect of strain on the oxygen diffusion in yttria and gadolinia co-doped ceria. Yn: Solid State Ionics. 2013 ; Cyfrol 230, Rhif SI. tt. 37-42.

RIS

TY - JOUR

T1 - Effect of strain on the oxygen diffusion in yttria and gadolinia co-doped ceria

AU - Rushton, M. J. D.

AU - Chroneos, A.

AU - Skinner, S. J.

AU - Kilner, J. A.

AU - Grimes, R. W.

PY - 2013/1/10

Y1 - 2013/1/10

N2 - Atomic scale simulations have been used to investigate the impact of co-doping (yttrium and gadolinium) and strain on oxygen diffusion and binding of dopant-vacancy clusters in ceria. Doped ceria in its relaxed or strained form is used as an electrolyte for solid oxide fuel cell applications. For unstrained co-doped ceria we calculate an activation energy for migration of 0.70-0.75 eV in the temperature range of 973-1873 K. Co-doping with yttrium and gadolinium only affected oxide ion diffusion to a small degree when compared to single doping. The diffusion coefficient was substantially increased by tensile strain while compressive strain caused a decrease. To gain further insight why tensile strain leads to higher diffusivity static simulations were employed. It is calculated that tensile strain reduces the binding energies of clusters between oxygen vacancies and trivalent dopant atoms while compressive strain leads to higher binding energies. (c) 2012 Elsevier B.V. All rights reserved.

AB - Atomic scale simulations have been used to investigate the impact of co-doping (yttrium and gadolinium) and strain on oxygen diffusion and binding of dopant-vacancy clusters in ceria. Doped ceria in its relaxed or strained form is used as an electrolyte for solid oxide fuel cell applications. For unstrained co-doped ceria we calculate an activation energy for migration of 0.70-0.75 eV in the temperature range of 973-1873 K. Co-doping with yttrium and gadolinium only affected oxide ion diffusion to a small degree when compared to single doping. The diffusion coefficient was substantially increased by tensile strain while compressive strain caused a decrease. To gain further insight why tensile strain leads to higher diffusivity static simulations were employed. It is calculated that tensile strain reduces the binding energies of clusters between oxygen vacancies and trivalent dopant atoms while compressive strain leads to higher binding energies. (c) 2012 Elsevier B.V. All rights reserved.

U2 - 10.1016/j.ssi.2012.09.015

DO - 10.1016/j.ssi.2012.09.015

M3 - Erthygl

VL - 230

SP - 37

EP - 42

JO - Solid State Ionics

JF - Solid State Ionics

SN - 0167-2738

IS - SI

ER -