Unveiling structure-property relationships in Sr 2Fe 1.5Mo 0.5O 6-δ, an electrode material for symmetric solid oxide fuel cells

Journal of the American Chemical Society

Volumn 134, Issue 15, 2012, Pages 6826-6833

  Muñoz García, Ana B ^a   Bugaris, Daniel E ^b   Pavone, Michele ^a   Hodges, Jason P ^c   Huq, Ashfia ^c   Chen, Fanglin ^d   Zur Loye, Hans Conrad ^b   Carter, Emily A ^a  

^a Princeton University   (United States)

^b UNIVERSITY OF SOUTH CAROLINA   (United States)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

^d The Department of Mechanical Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BULK OXIDES; ELECTRODE MATERIAL; ELECTRONIC CONDUCTIVITY; INTERMEDIATE-TEMPERATURE FUEL CELLS; NON-STOICHIOMETRY; ORTHORHOMBIC SPACE GROUPS; POWDER NEUTRON DIFFRACTION DATA; SIMPLE PEROVSKITES; SOLID OXIDE; STRUCTURE PROPERTY RELATIONSHIPS;

ELECTRONIC STRUCTURE; PEROVSKITE; RIETVELD REFINEMENT; SOLID OXIDE FUEL CELLS (SOFC);

OXYGEN VACANCIES;

OXYGEN; PEROVSKITE;

ARTICLE; CHEMICAL COMPOSITION; CHEMICAL STRUCTURE; CONCENTRATION (PARAMETERS); CONDUCTANCE; CRYSTAL STRUCTURE; DIFFUSION; ELECTRODE; NEUTRON DIFFRACTION; SOLID OXIDE FUEL CELL ELECTRODE; STRUCTURE ACTIVITY RELATION; SYNTHESIS; TEMPERATURE;

EID: 84859958492     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja300831k     Document Type: Article

References (63)

1. Park, S.; Vohs, J. M.; Gorte, R. J. Nature 2000, 404, 265
2. Boudghene-Stambouli, A.; Traversa, E. Renew. Sust. Energy Rev. 2002, 6, 433
3. Wachsman, E. D.; Singhal, S. C. Am. Ceram. Soc. Bull. 2010, 89, 23
4. Steele, B. C. H.; Heinzel, A. Nature 2001, 414, 345
5. Ruiz-Morales, J. C.; Marrero, D.; Savaniud, C.; Savvin, S. N. Energy Environ. Sci. 2010, 3, 1670
6. Yang, L.; Wang, S.; Blinn, K.; Liu, M.; Cheng, Z.; Liu, M. Science 2009, 326, 126
7. Jacobson, A. J. Chem. Mater. 2010, 22, 660
8. Orera, A.; Slater, P. R. Chem. Mater. 2010, 22, 675
9. Xiao, G.; Liu, Q.; Zhao, F.; Zhang, L.; Xia, C.; Chen, F. J. Electrochem. Soc. 2011, 158, B455
10. Liu, Q.; Bugaris, D. E.; Xiao, G.; Chmara, M.; Ma, S.; zur Loye, H.-C.; Amiridis, M. D.; Chen, F. J. Power Sources 2011, 196, 9148
11. Liu, Q.; Dong, X.; Xiao, G.; Ma, S.; Zhao, F.; Chen, F. Adv. Mater. 2010, 22, 5478
12. Sun, C.; Hui, R.; Roller, J. J. Solid State Electrochem. 2010, 14, 1125
13. Adler, S. B. Chem. Rev. 2004, 104, 4791
14. Rapposch, M. H.; Anderson, J. B.; Kostiner, E. Inorg. Chem. 1980, 19, 3531
15. Huq, A.; Hodges, J. P.; Gourdon, O.; Heroux, L. Z. Kristallogr. Proc. 2011, 1, 127
16. Larson, A. C.; von Dreele, R. B. General Structure Analysis System (GSAS); Los Alamos National Laboratory: Los Alamos, NM, 1990.
17. Toby, B. H. J. Appl. Crystallogr. 2001, 34, 210
18. Hohenberg, P.; Kohn, W. Phys. Rev. 1964, 136, B864
19. Kohn, W.; Sham, L. J. Phys. Rev. 1965, 140, A1133
20. Anisimov, V. I.; Zaanen, J.; Andersen, O. K. Phys. Rev. B 1991, 44, 943
21. Anisimov, V. I.; Aryasetiawan, F.; Lichtenstein, A. J. Phys.: Condens. Matter 1997, 9, 767
22. Carter, E. A. Science 2008, 321, 800
23. Huang, P.; Carter, E. A. Annu. Rev. Phys. Chem. 2008, 59, 261
24. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865
25. Blöchl, P. Phys. Rev. B 1994, 50, 17953
26. Kresse, G; Joubert, D. Phys. Rev. B 1999, 59, 1758
27. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 48, 13115
28. Kresse, G; Furthmüller, J. Phys. Rev. B 1996, 54, 11169
29. Kresse, G.; Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15
30. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188
31. Mosey, N. J.; Liao, P.; Carter, E. A. J. Chem. Phys. 2008, 129, 14103
32. Mosey, N. J.; Carter, E. A. Phys. Rev. B 2006, 76, 155123
33. Muñoz-Garcia, A. B.; Pavone, M.; Carter, E. A. Chem. Mater. 2011, 23, 4525
34. Bader, R. F. W. Atoms in Molecules-A quantum theory; Oxford University Press: New York, 1990.
35. Tang, W.; Sanville, E.; Henkelman, G. J. Phys.: Condens. Matter 2009, 21, 084204
36. Liu, G. Y.; Rao, G. H.; Feng, X. M.; Yang, H. F.; Ouyang, Z. W.; Liu, W. F.; Liang, J. K. J. Alloys Comp. 2003, 353, 42
37. Woodward, P. Acta Crystallogr., Sect. B: Struct. Sci. 1997, 53, 32
38. Woodward, P. Acta Crystallogr., Sect. B: Struct. Sci. 1997, 53, 44
39. Lufaso, M. W.; Woodward, P. M. Acta Crystallogr., Sect. B: Struct. Sci. 2001, 57, 725
40. Geller, S. J. Chem. Phys. 1956, 24, 1236
41. Tezuka, K.; Henmi, K.; Hinatsu, Y.; Masaki, N. M. J. Solid State Chem. 2000, 154, 591
42. Cussen, E. J.; Vente, J. F.; Battle, P. D.; Gibb, T. C. J. Mater. Chem. 1997, 7, 459
43. Attfield, M. P.; Battle, P. D.; Bollen, S. K.; Gibb, T. C.; Whitehead, R. J. J. Solid State Chem. 1992, 100, 37
44. de la Calle, C.; Alonso, J. A.; García-Hernández, M.; Pomjakushin, V. J. Solid State Chem. 2006, 179, 1636
45. Aguadero, A.; de la Calle, C.; Alonso, J. A.; Pérez-Coll, D.; Escudero, M. J.; Daza, L. J. Power Sources 2009, 192, 78
46. Martínez-Lope, M. J.; Alonso, J. A.; Casais, M. T.; García-Hernández, M.; Pomjakushin, V. J. Solid State Chem. 2006, 179, 2506
47. Blasco, J.; Ritter, C.; Rodríguez-Velamazán, J. A.; Herrero-Martín, J. Solid State Sci. 2010, 12, 750
48. Momin, A. C.; Mirza, E. B.; Mathews, M. D. J. Mater. Sci. Lett. 1991, 10, 1246
49. Jiang, S. P. J. Mater. Sci. 2008, 43, 6799
50. Yashima, M. In Perovskite Oxide for Solid Oxide Fuel Cells; Ishihara, T., Ed.; Springer: New York, 2009; pp 117-146.
51. Kang, H.; Beauchamp, J. L. J. Am. Chem. Soc. 1986, 108, 5663
52. Carter, E. A.; Goddard, W. A., III J. Phys. Chem. 1988, 92, 2109
53. Heyd, J.; Scuseria, G. E.; Ernzerhof, M. J. Chem. Phys. 2006, 124, 219906
54. Kilner, J. A.; Berenov, A; Rossiny, J. In Perovskite Oxide for Solid Oxide Fuel Cells; Ishihara, T., Ed.; Springer: New York, 2009; pp 95-116.
55. Pavone, M.; Ritzmann, A. M.; Carter, E. A. Energy Environ. Sci. 2011, 4, 4933
56. Lee, Y.-L.; Kleis, J.; Rossmeisl, J.; Morgan, D. Phys. Rev. B 2009, 80, 224101
57. Nowotny, J.; Rekas, M. J. Am. Ceram. Soc. 1998, 81, 67
58. Mizusaki, J.; Yoshihiro, M.; Yamauchi, S.; Fueki, K. J. Solid State Chem. 1985, 58, 257
59. Mizusaki, J.; Mima, Y.; Yamauchi, S.; Fueki, K. J. Solid State Chem. 1989, 80, 102
60. Iwahara, H.; Esaka, T.; Mangahara, T. J. Appl. Electrochem. 1988, 18, 173
61. Jurado, J. R.; Fiqueiredo, F. M.; Gharbage, B.; Frade, J. R. Solid State Ionics 1999, 118, 89
62. Tao, S.; Canales-Vazquez, J.; Irvine, J. T. S. Chem. Mater. 2004, 16, 2309
63. Tuller, H. L. Solid State Ionics 1997, 94, 63