Pyrochlore to fluorite transition: The Y2 (Ti 1?xZrx)2O7 (0.0 ≥x ≥1.0) System

Chemistry of Materials

Volumn 24, Issue 22, 2012, Pages 4294-4300

  Norberg, Stefan T ^a,b   Hull, Stephen ^a   Eriksson, Sten G ^b   Ahmed, Istaq ^b   Kinyanjui, Francis ^b   Biendicho, Jordi Jacas ^a,c  

^a RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^b CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^c STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

oxygen vacancy ordering; RMC modeling; SOFC electrolytes

Indexed keywords

CATION SITES; COMPOSITION DEPENDENCE; CONTINUOUS TRANSFORMATIONS; FLUORITE STRUCTURE; NEUTRON POWDERS; PYROCHLORE STRUCTURES; PYROCHLORES; REVERSE MONTE CARLO MODELING; SOFC ELECTROLYTE; STRUCTURE PROPERTY; SUB-LATTICES; TOTAL SCATTERING; VACANCY ORDERING;

CRYSTAL STRUCTURE; FLUORSPAR; MONTE CARLO METHODS; NEGATIVE IONS; POSITIVE IONS;

ZIRCONIUM;

EID: 84870179100     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm301649d     Document Type: Article

References (46)

1. Ishihara, T.; Sammes, N. M.; Yamamoto, O. Electrolytes. In High temperature solid oxide fuel cells. Fundamentals, design and applications; Singhal, S. C., Kendall, K., Eds.; Elsevier: Oxford, U.K., 2003; pp 83-118.
2. McEvoy, A. Anodes. In High temperature solid oxide fuel cells. Fundamentals, design and applications; Singhal, S. C., Kendall, K., Eds.; Elsevier: Oxford, U.K., 2003; pp 149-172.
3. Atkinson, A.; Barnett, S.; Gorte, R. J.; Irvine, J. T. S.; McEvoy, A. J.; Mogensen, M.; Singhal, S. C.; Vohs, J. Nat. Mater. 2004, 3, 17-27
4. Fergus, J. W. Solid State Ionics 2006, 177, 1529-1541
5. Goodenough, J. B.; Huang, Y. H. J. Power Sources 2007, 173, 1-10
6. Sun, C. W.; Stimming, U. J. Power Sources 2007, 171, 247-260
7. Zhu, W. Z.; Deevi, S. C. A Review on the Status of Anode Materials for Solid Oxide Fuel Cells. In Fuel Cells Compendium; Brandon, N. P.; Thompsett, D., Eds.; Elsevier: Amsterdam, The Netherlands, 2005; pp 215-234.
8. Colomer, M. T.; Jurado, J. R. J. Solid State Chem. 2002, 165, 79-88
9. Swider, K. E.; Worrell, W. L. J. Electrochem. Soc. 1996, 143, 3706-3711
10. Tao, S.; Irvine, J. T. S. J. Solid State Chem. 2002, 165, 12-18
11. Arashi, H.; Naito, H. Solid State Ionics 1992, 53, 431-435
12. Durán, P.; Capel, F.; Moure, C.; González-Elipe, A. R.; Caballero, A.; Bañares, M. A. J. Electrochem. Soc. 1999, 146, 2425-2434
13. Naito, H.; Arashi, H. Solid State Ionics 1992, 53, 436-441
14. Feighery, A. J.; Irvine, J. T. S.; Fagg, D. P.; Kaiser, A. J. Solid State Chem. 1999, 143, 273-276
15. Kobayashi, K.; Kato, K.; Terabe, K.; Yamaguchi, S.; Iguchi, Y. J. Ceram. Soc. Jpn. 1998, 106, 860-866
16. Schaedler, T. A.; Fabrichnaya, O.; Levi, C. G. J. Eur. Ceram. Soc. 2008, 28, 2509-2520
17. Schaedler, T. A.; Francillon, W.; Gandhi, A. S.; Grey, C. P.; Sampath, S.; Levi, C. G. Acta Mater. 2005, 53, 2957-2968
18. Glerup, M.; Nielsen, O. F.; Poulsen, F. W. J. Solid State Chem. 2001, 160, 25-32
19. Heremans, C.; Wuensch, B. J.; Stalick, J. K.; Prince, E. J. Solid State Chem. 1995, 117, 108-121
20. Kim, N.; Grey, C. P. J. Solid State Chem. 2003, 175, 110-115
21. Kim, N.; Grey, C. P. Dalton Trans. 2004, 3048-3052
22. Liu, Y.; Withers, R. L.; Norén, L. J. Solid State Chem. 2004, 177, 4404-4412
23. Moon, P. K.; Tuller, H. L. Mater. Res. Soc. Symp. Proc. 1989, 135, 149-163
24. Uematsu, K.; Shinozaki, K.; Sakurai, O.; Mizutani, N.; Kato, M. J. Am. Ceram. Soc. 1979, 62, 219-221
25. Yamaguchi, S.; Kobayashi, K.; Abe, K.; Yamazaki, S.; Iguchi, Y. Solid State Ionics 1998, 113, 393-402
26. Chakoumakos, B. C. J. Solid State Chem. 1984, 53, 120-129
27. Shannon, R. D. Acta Crystallogr. 1976, A32, 751-767
28. van Dijk, M. P.; Burggraaf, A. J.; Cormack, A. N.; Catlow, C. R. A. Solid State Ionics 1985, 17, 159-167
29. van Dijk, M. P.; Devries, K. J.; Burggraaf, A. J. Solid State Ionics 1983, 9-10, 913-919
30. Norberg, S. T.; Ahmed, I.; Hull, S.; Marrocchelli, D.; Madden, P. A. J. Phys.: Condens. Matter 2009, 21, 215401
31. Hull, S.; Smith, R. I.; David, W. I. F.; Hannon, A. C.; Mayers, J.; Cywinski, R. Phys. B 1992, 180, 1000-1002
32. Larson, A. C.; von Dreele, R. B. General Structure Analysis System (GSAS); Los Alamos National Laboratory Report, LAUR 86-748; Los Alamos National Laboratory: Los Alamos, NM, 1994.
33. Soper, A. K. (unpublished).
34. Keen, D. A. J. Appl. Crystallogr. 2000, 34, 172-177
35. McGreevy, R. L. J. Phys.: Condens. Matter 2001, 13, R877-R913
36. Tucker, M. G.; Keen, D. A.; Dove, M. T.; Goodwin, A. L.; Hui, Q. J. Phys.: Condens. Matter 2007, 19, 335218
37. Norberg, S. T.; Tucker, M. G.; Hull, S. J. Appl. Crystallogr. 2009, 42, 179-184
38. Brese, N. E.; O'Keeffe, M. Acta Crystallogr. 1991, B47, 192-197
39. Becker, W. J.; Will, G. Z. Kristallogr. 1970, 131, 278-288
40. Bogicevic, A.; Wolverton, C. Phys. Rev. B 2003, 67, 024106
41. Bogicevic, A.; Wolverton, C.; Crosbie, G. M.; Stechel, E. B. Phys. Rev. B 2001, 64, 014106
42. Marrocchelli, D.; Madden, P. A.; Norberg, S. T.; Hull, S. Chem. Mater. 2011, 23, 1365-1373
43. Norberg, S. T.; Hull, S.; Ahmed, I.; Eriksson, S. G.; Marrocchelli, D.; Madden, P. A.; Li, P.; Irvine, J. T. S. Chem. Mater. 2011, 23, 1356-1364
44. Marrocchelli, D.; Madden, P. A.; Norberg, S. T.; Hull, S. J. Phys.: Condens. Matter 2009, 21, 405403
45. Burbano, M.; Norberg, S. T.; Hull, S.; Eriksson, S. G.; Marrocchelli, D.; Madden, P. A.; Watson, G. W. Chem. Mater. 2012, 24, 222-229
46. Cai, L.; Nino, J. C. Acta Crystallogr. 2009, B56, 269-290