Atomistic simulations of oxide ion diffusion in heavily doped lanthanum cobaltite

Journal of the European Ceramic Society

Volumn 25, Issue 13, 2005, Pages 3243-3248

  Fisher, C A J ^a,c   Iwamoto, Y ^a   Asanuma, M ^b   Anyashiki, T ^b   Yabuta, K ^b  

^a JAPAN FINE CERAMICS CENTER   (Japan)

^b JFE STEEL CORPORATION   (Japan)

^c UNIVERSITY OF SURREY   (United Kingdom)

Author keywords

Ionic conductivity; LaCoO3; Membranes; Molecular dynamics; Perovskites

Indexed keywords

COMPOSITION; COMPUTER SIMULATION; DIFFUSION; DOPING (ADDITIVES); IONIC CONDUCTION; MOLECULAR DYNAMICS; OXIDES; THERMAL EFFECTS;

IONIC CONDUCTIVITY; OXIDE ION DIFFUSION; TRANSITION METAL ELEMENTS; VALENCY DOPANTS;

LANTHANUM COMPOUNDS;

MEMBRANE;

EID: 21744450176     PISSN: 09552219     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jeurceramsoc.2004.07.025     Document Type: Article

References (24)

1. V. V. Kharton E. N. Naumovich and A. V. Nikolaev Materials of high-temperature electrochemical oxygen membranes J. Membr. Sci. 111 1996 149-157
2. 3 as a function of Sr-content, temperature and oxygen partial pressure J. Solid State Chem. 142 1999 374-381
3. 3-δ membrane Chem. Mater. 13 2001 2797-2800
4. S. P. Scott D. Mantzavinos A. Hartley M. Sahibzada and I. S. Metcalfe Reactivity of LSCF perovskties Solid State Ionics 152/153 2002 777-781
5. 3-δ Solid State Ionics 156 2003 201-208
6. J. E. Ten Elshof M. H. R. Lankhurst and H. J. M. Bouwmeester Oxygen exchange and diffusion coefficients of strontium-doped lanthanum ferrites by electrical conductivity relaxation J. Electrochem. Soc. 144 1997 1060-1067
7. 3 membranes. I. Permeation in air/He gradients Solid State Ionics 81 1995 97-109
8. 3-y Solid State Ionics 80 1995 189-199
9. 2.5-δ Solid State Ionics 116 1999 129-138
10. Y. Teraoka H.-M. Zhang and S. Furukawa Oxygen permeation through perovskite-type oxides Lett. Chem. Soc. Jpn. 11 1985 1743-1746
11. 3 (B = Al, Mn or Co) perovskite-type oxides J. Chem. Soc., Faraday Trans. 92 1996 479-482
12. M. Cherry M. S. Islam and C. R. A. Catlow Oxygen ion migration in perovskite-type oxides J. Solid State Chem. 118 1995 125-132
13. 3 J. Mater. Chem. 10 2000 2298-2305
14. 3 perovskite-type oxides: A molecular dynamics study J. Solid State Chem. 124 1996 230-237
15. K. D. Refson Moldy: A portable molecular dynamics simulation program for serial and parallel computers Comput. Phys. Commun. 126 2000 309-328
16. G. V. Lewis and C. R. A. Catlow Potential models for ionic oxides J. Phys. C: Solid State Phys. 18 1985 1149-1161
17. 3-d Inorg. Mater. 35 1999 282-286
18. 3-δ J. Solid State Chem. 80 1989 102-111
19. T. Ishigaki S. Yamauchi K. Kishio J. Mizusaki and K. Fueki Diffusion of oxide ion vacancies in perovskite-type oxides J. Solid State Chem. 73 1988 179-187
20. 3 Powder Diffract. 11 1996 240-245
21. Y. Yamamura S. Kawasaki and H. Sakai Molecular dynamics analysis of ionic conduction mechanism in yttria-stabilized zirconia Solid State Ionics 126 1999 181-189
22. "Technology for Generating Hydrogen from Steelmaking Process Gases", Project Report for FY 2002. Japan R&D Center for Metals (JRCM), Tokyo, 2003 (in Japanese).
23. J. D. Gale Gulp: A computer program for the symmetry-adapted simulation of solids J. Chem. Soc., Faraday Trans. 93 1997 629-637
24. S. Carter A. Selcuk R. J. Chater J. Kajda J. Kilner and B. C. H. Steele Oxygen transport in selected nonstoichiometric perovskite-type oxides Solid State Ionics 1992 597-605