Dopant Clustering and Correlated Oxygen Migration in Conditionally Stabilized Zirconia Electrolytes-Reference-Cited by-同舟云学术

Dopant Clustering and Correlated Oxygen Migration in Conditionally Stabilized Zirconia Electrolytes

Published:2015-04-01 Issue:2 Volume:12 Page:
ISSN:1550-624X
Container-title:Journal of Fuel Cell Science and Technology
language:en
Short-container-title:

Author:

Miller Steven P.¹,Dunlap Brett I.²,Fleischer Amy S.³

Affiliation:

1. Mem. ASME Naval Ship Systems Engineering Station, 5001 South Broad Street, Philadelphia, PA 19112 e-mail:

2. Mem. ASME Naval Research Laboratory, 4555 Overlook Avenue SW, Washington, DC 20375 e-mail:

3. Mem. ASME Department of Mechanical Engineering, Villanova University, 800 Lancaster Avenue, Villanova, PA 19085 e-mail:

Abstract

Molecular dynamics (MD) simulation of yttria/scandia-stabilized zirconia (SSZ) with variably distributed Y/Sc dopant ions shows that energy is minimized when the dopants are uniformly spread apart, provided that the lattice maintains cubic fluorite symmetry. In contrast, highly clustered dopants are found to destabilize the cubic phase due to the presence of large regions of dopant-free zirconia. Computed oxygen diffusion coefficients and conductivity values consistently show that the Haven ratio is always less than one, indicating that correlation effects influence the motion of oxygen ions and vacancies. In addition, it is seen that the conductivity of crystals with noncubic symmetry is markedly anisotropic.

Publisher

ASME International

Subject

Mechanical Engineering,Mechanics of Materials,Energy Engineering and Power Technology,Renewable Energy, Sustainability and the Environment,Electronic, Optical and Magnetic Materials

Link

http://asmedigitalcollection.asme.org/electrochemical/article-pdf/doi/10.1115/1.4029082/6131321/fc_012_02_021003.pdf

Reference40 articles.

1. Theoretical Study of the Stabilization of Cubic-Phase ZrO2 by Impurities;Phys. Rev. B,1994

2. Zirconia Based Oxide Ion Conductors for Solid Oxide Fuel Cells;Ionics,1998

3. Scandia-Zirconia Electrolytes for Intermediate Temperature Solid Oxide Fuel Cell Operation;Solid State Ion.,2000

4. Electrical Conductivity of Sc2O3-ZrO2 Compositions by 4-Probe d.c. and 2-Probe Complex Impedance Techniques;J. Mater. Sci.,1983

5. Effect of Dopant Concentration on Electrical Conductivity in the Sc2O3-ZrO2 System;J. Mater. Sci.,1987

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