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Comparison and correlation of structural disorder caused by anion Frenkel in affecting ion conduction of La2Hf2O7 and La2Mo2O9 as high performance electrolytes in SOFCs

  • Mingzi Sun (a1) and Bolong Huang (a1)
Abstract
Abstract

La2Hf2O7 and La2Mo2O9 as potential electrolytes for solid oxide fuel cells (SOFCs) have been investigated through first-principles calculations to understand the mechanism of ion motion. In La2Hf2O7, three unique types of positions that can form anion-Frenkel (a-Fr) pairs have been screened out and a reasonable continuous diffusion path constructed by these migration sites has also been suggested as the dominant cause of ion conduction. On the other side, excellent ion conductivity in La2Mo2O9 is more based on the short-range disorder induced by mobile structure. The thermodynamic properties comparison of La2Mo2O9 and La2Hf2O7 shows that the formation of a-Fr pairs in La2Mo2O9 will start at lower temperature because of higher degree of structural disorder and less constraints on oxygen ions.

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*Email: bhuang@polyu.edu.hk
References
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1. Minh N., Solid State Ionics 1-4(174), 271277. (2004).
2. Singhal S., Solid State Ionics 1-4(135), 305313. (2000).
3. Stambouli A. B. and Traversa E., Renewable and Sustainable Energy Reviews 5(6), 433455. (2002).
4. Minh N. Q., J. Am. Ceram. Soc. 3(76), 563588. (1993).
5. Burggraaf A., Vandijk T. and Verkerk M., Solid State Ionics 5), 519522. (1981).
6. Vandijk M., Burggraaf A., Cormack A. and Catlow C., Solid State Ionics 2(17), 159167. (1985).
7. W. P. and C. C.R.A., Solid State Ionics 3-4(112), 173183. (1998).
8. Minervini L., Grimes R. W. and Sickafus K. E., J. Am. Ceram. Soc. 8(83), 18731878. (2004).
9. Hagiwara T., Yamamura H. and Nishino H., IOP Conference Series: Materials Science and Engineering 13(18), 132003. (2011).
10. Huang B., Gillen R. and Robertson J., The Journal of Physical Chemistry C 42(118), 2424824256. (2014).
11. Lehmann H., Pitzer D., Pracht G., Vassen R. and Stöver D., J. Am. Ceram. Soc. 8(86), 13381344. (2003).
12. Eagleman Y., Weber M., Chaudhry A. and Derenzo S., J. Lumin. 11(132), 28892896. (2012).
13. Ji Y., Jiang D. and Shi J., J. Mater. Res. 03(20), 567570. (2011).
14. Wei F., Tu H., Wang Y., Yue S. and Du J., Journal of Physics: Conference Series 152), 012003. (2009).
15. Seguini G., Spiga S., Bonera E., Fanciulli M., Reyes Huamantinco A., Först C. J., Ashman C. R., Blöchl P. E., Dimoulas A. and Mavrou G., Appl. Phys. Lett. 20(88), 202903. (2006).
16. Lumpkin G. R., Whittle K. R., Rios S., Smith K. L. and Zaluzec N. J., J. Phys.: Condens. Matter 47(16), 85578570. (2004).
17. Ewing R. C., Weber W. J. and Lian J., J. Appl. Phys. 11(95), 59495971. (2004).
18. Yamamura H., Solid State Ionics 3-4(158), 359365. (2003).
19. Aleshin E. and Roy R., J. Am. Ceram. Soc. 1(45), 1825. (1962).
20. Lacorre P., Goutenoire F., Bohnke O., Retoux R. and Laligant Y., Nature 6780(404), 856858. (2000).
21. Goutenoire F., Isnard O. and Retoux R., Chem. Mater. 9(12), 25752580. (2000).
22. Terki R., Feraoun H., Bertrand G. and Aourag H., J. Appl. Phys. 11(96), 64826487. (2004).
23. Pruneda J. M. and Artacho E., Physical Review B 8(72), 2005).
24. Li N., Xiao H. Y., Zu X. T., Wang L. M., Ewing R. C., Lian J. and Gao F., J. Appl. Phys. 6(102), 063704. (2007).
25. Panero W. R., Stixrude L. and Ewing R. C., Physical Review B 5(70), 2004).
26. Evans I. R., Howard J. A. K. and Evans J. S. O., Chem. Mater. 16(17), 40744077. (2005).
27. Lacorre P., Selmi A., Corbel G. and Boulard B., Inorg. Chem. 2(45), 627635. (2006).
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