Understanding oxygen vacancy migration and clustering in barium strontiumcobalt iron oxide

Solid State Ionics

Volumn 181, Issue 23-24, 2010, Pages 1067-1073

  Ganopadhyay, Shruba ^a   Masunov, Artëm E ^a,b   Inerbaev, Talgat ^a   Mesit, Jaruwan ^c   Guha, Ratan K ^c   Sleiti, Ahmad K ^c   Kapat, Jay S ^c  

^a UNIVERSITY OF CENTRAL FLORIDA   (United States)

^b UNIVERSITY OF CENTRAL FLORIDA   (United States)

^c University of Central Florida   (United States)

Author keywords

BSCF; Density Functional Theory; Mixed Perovskite; Solid Oxide Fuel Cell; Vacancy migration; Vacancy ordering

Indexed keywords

COBALT IRON OXIDES; CONCENTRATION OF; EXPERIMENTAL DATA; LOW ENERGIES; NUDGED ELASTIC BAND METHODS; OPERATING TEMPERATURE; OXYGEN ANION; OXYGEN VACANCY MIGRATION; PEROVSKITE SOLIDS; PLANE WAVE DENSITY FUNCTIONAL THEORY; TETRAMERS; TRANSITION STATE; VACANCY CLUSTERING; VACANCY MIGRATION; VACANCY ORDERING;

ACTIVATION ENERGY; BARIUM; BARIUM COMPOUNDS; COBALT; COBALT COMPOUNDS; DENSITY FUNCTIONAL THEORY; IRON OXIDES; OXIDE MINERALS; OXYGEN; PEROVSKITE; PHASE STABILITY; POSITIVE IONS; SOLID OXIDE FUEL CELLS (SOFC); STRONTIUM; VACANCIES;

OXYGEN VACANCIES;

EID: 77955555848     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2010.05.014     Document Type: Article

References (42)

1. J. Hafner, C. Wolverton, and G. Ceder Mrs Bull. 31 9 2006 659
2. H. Mehrer, and F. Wenwer Diffusion in Condensed Matter - Methods, Materials, Models 1998 Springer
3. A.V. Berenov, J.L. MacManus-Driscoll, and J.A. Kilner Solid State Ionics 122 1-4 1999 41
4. S. Gangopadhayay, T. Inerbaev, A.E. Masunov, D. Altilio, and N. Orlovskaya ACS Appl. Mater. Interfaces 1 7 2009 1512
5. M.S. Islam Solid State Ionics 75 2002 155
6. F. Shimojo, and H. Okazaki J. Phys. Soc. Jpn. 61 11 1992 4106
7. M. Meyer, N. Nicoloso, and V. Jaenisch Phys. Rev. B: Condens. Matter 56 10 1997 5961
8. P. Ramanarayanan, B. Srinivasan, K. Cho, and B.M. Clemens J. Appl. Phys. 96 12 2004 7095
9. A. Eichler Phys. Rev. B 64 2001 17
10. M. Cherry, M.S. Islam, and C.R.A. Catlow J. Solid State Chem. 118 1 1995 125
11. M.S. Khan, M.S. Islam, and D.R. Bates J. Phys. Chem. B 102 17 1998 3099
12. M. Lerch, H. Boysen, and T. Hansen J. Phys. Chem. Solids 62 3 2001 445
13. B.B. Karki, and G. Khanduja Earth Planet. Sci. Lett. 260 1-2 2007 201
14. M.W. Ammann, J.P. Brodholt, and D.P. Dobson Phys. Chem. Miner. 36 3 2009 151
15. H. Norge Cruz, S. Javier Fernandez, and A. Luis Javier J. Phys.: Condens. Matter 2009 305502
16. Z.P. Shao, and S.M. Haile Nature 431 7005 2004 170
17. Z.P. Shao, H. Dong, G.X. Xiong, Y. Gong, and W.S. Yang J. Membr. Sci. 183 2 2001 181
18. Y. Teraoka, H.M. Zhang, S. Furukawa, and N. Yamazoe Chem. Lett. 11 1985 1743
19. H. Kruidhof, H.J.M. Bouwmeester, R.H.E. Vondoorn, and A.J. Burggraaf Solid State Ionics 63-5 1993 816
20. W.S. Yang, Z.P. Shao, Y. Cong and G.X. Xiong, Mixed conducting membranes with high oxygen vacancies, Chinese Patent, Application No. 99 1 13004.9.
21. S. Kim, Y.L. Yang, A.J. Jacobson, and B. Abeles Solid State Ionics 3,4 1998 189
22. S.J. Xu, and W.J. Thomson Chem. Eng. Sci. 54 17 1999 3839
23. H. Lu, Y. Cong, and W.S. Yang Solid State Ionics 177 5-6 2006 595
24. S.K. Singh, and J. Kumar J. Mater. Sci. 42 6 2007 2105
25. J.A. Kilner, and C.D. Waters Solid State Ionics 6 3 1982 253
26. B. Steele Comptes Rendus de l'Academie des Sciences, Serie IIc: Chimie 1 9 1998 533
27. C.A.J. Fisher, M. Yoshiya, Y. Iwamoto, J. Ishii, M. Asanuma, and K. Yabuta Solid State Ionics 177 39-40 2007 3425
28. R. Krishnamurthy, D.J. Srolovitz, K.N. Kudin, and R. Car J. Am. Ceram. Soc. 88 8 2005 2143
29. R. Krishnamurthy, Y.G. Yoon, D.J. Srolovitz, and R. Car J. Am. Ceram. Soc. 87 10 2004 1821
30. D. Vanderbilt Physical Review B 41 11 1990 7892
31. S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi, C. Cavazzoni, G. Ballabio, S. Scandolo, G. Chiarotti, P. Focher, and A. Pasquarello http://www.quantum-espresso.org
32. N. Marzari, D. Vanderbilt, A. De Vita, and M.C. Payne Phys. Rev. Lett. 82 16 1999 3296
33. H. Graeme, and J. Hannes J. Chem. Phys. 113 22 2000 9978
34. S. McIntosh, J.F. Vente, W.G. Haije, D.H.A. Blank, and H.J.M. Bouwmeester Chem. Mater. 18 8 2006 2187
35. P. Pruzan, D. Gourdain, J.C. Chervin, B. Canny, B. Couzinet, and M. Hanfland Solid State Commun. 123 1-2 2002 21
36. D. Lheureux, M. Fischer, A. Polian, J.P. Itie, M. Gauthier, and G. Syfosse Proc.-IEEE Ultrason. Symp. Vol. 1 1999 533
37. T. Takeda J. Phys. Soc. Jpn. 33 4 1972 967
38. P. Bezdicka, A. Wattiaux, J.C. Grenier, M. Pouchard, and P. Hagenmuller Z. Anorg. Allg. Chem. 619 1 1993 7
39. 3 crystal structure, lattice parameters, Springer Materials - The Landolt-Börnstein Database 2000 1 6
40. Y.A. Abramov, V.G. Tsirelson, V.E. Zavodnik, S.A. Ivanov, and I.D. Brown Acta Crystallogr., Sect. B-Struct. Sci. 51 1995 942
41. S. McIntosh, J.F. Vente, W.G. Haije, D.H.A. Blank, and H.J.M. Bouwmeester Solid State Ionics 177 19-25 2006 1737
42. J.A. Kilner Solid State Ionics 8 3 1983 201