Proton mobility in the in-doped CaZrO3 perovskite oxide

Chemistry of Materials

Volumn 19, Issue 11, 2007, Pages 2842-2851

  Bilić, Ante ^a   Gale, Julian D ^a  

^a CURTIN UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CRYSTAL ORIENTATION; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ENERGY BARRIERS; LATTICE VIBRATIONS;

BINDING STRENGTHS; PROTON BINDING SITES; PROTON MOBILITY; PROTON PROPAGATION;

PEROVSKITE;

EID: 34250201517     PISSN: 08974756     EISSN: None     Source Type: Journal    
DOI: 10.1021/cm070291b     Document Type: Article

References (45)

1. Takashi, T.; Iwahara, H. Rev. Chim. Miner. 1980, 17, 243.
2. Iwahara, H.; Uchida, H.; Tanaka, S. Solid State Ionics 1983, 9/10, 1021.
3. Iwahara, H.; Esaka, T.; Uchida, H.; Yamauchi, T.; Ogaki, K. Solid State Ionics 1986, 18/19, 1003.
4. Iwahara, H. Solid State Ionics 1999, 125, 271.
5. Iwahara, H.; Hibino, T.; Sunano, T. J. Appl. Electrochem. 1996, 26, 829.
6. Iwahara, H.; Matsumoto, H.; Takeuchi, K. Solid State Ionics 2000, 136, 133.
7. Hamakawa, S.; Hibino, T.; Iwahara, H. J. Electrochem. Soc. 1994, 141, 1720.
8. Iwahara, H.; Asakura, Y.; Katahira, K.; Tanaka, M. Solid State Ionics 2004, 168, 299.
9. Iwahara, H. Solid State Ionics 1995, 77, 289.
10. Yajima, T.; Koide, K.; Fukatsu, N.; Ohashi, T.; Iwahara, H. Sens. Actuators, B 1993, 13-14, 697.
11. Yajima, T.; Koide, K.; Takai, H.; Fukatsu, N.; Iwahara, H. Solid State Ionics 1995, 79, 333.
12. Iwahara, H.; Yajima, T.; Hibino, T.; Ozaki, K.; Suzuki, H. Solid State Ionics 1993, 61, 65.
13. Kreuer, K. D. Annu. Rev. Mater. Res. 2003, 33, 333.
14. Kreuer, K. D.; Paddison, S. J.; Spohr, E.; Schuster, M. Chem. Rev. 2004, 104, 4637.
15. Gomez, M. A.; Griffin, M. A.; Jindal, S.; Rule, K. D.; Cooper, V. R. J. Chem. Phys. 2005, 123, 094703.
16. Islam, M. S.; Davies, R. A.; Gale, J. D. Chem. Commun. 2001, 661.
17. Islam, M. S.; Davies, R. A.; Gale, J. D. Chem. Mater. 2001, 13, 2049.
18. Islam, M. S. Solid State Ionics 2002, 154-155, 75.
19. Sánchez-Portal, D.; Ordejón, P.; Artacho, E.; Soler, J. M. Int. J. Quantum Chem. 1997, 65, 453.
20. Soler, J. M.; Artacho, E.; Gale, J. D.; García, A.; Junquera, J.; Ordejón, P.; Sánchez-Portal, D. J. Phys.: Condens. Matter 2002, 14, 2745.
21. Kleinman, L.; Bylander, D. M. Phys. Rev. Lett. 1982, 48, 1425.
22. Troullier, N.; Martins, J. L. Phys. Rev. B 1991, 43, 1993.
23. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
24. Sankey, O. F.; Niklewski, D. J. Phys. Rev. B 1989, 40, 3979.
25. Junquera, J.; Paz, Ó.; Sánchez-Portal, D.; Artacho, E. Phys. Rev. B 2001, 64, 235111.
26. Moreno, J.; Soler, J. M. Phys. Rev. B 1992, 45, 13891.
27. Leslie, M.; Gillan, M. J. J. Phys. Solid State Phys. 1985, 18, 973.
28. Hoft, R. C.; Gale, J. D.; Ford, M. J. Mol. Simul. 2006, 32, 593.
29. Vineyard, G. H. J. Phys. Chem. Solids 1957, 3, 121.
30. Fleming, S. D.; Rohl, A. L. Z. Kristallogr. 2005, 220, 580.
31. Nowick, A. S.; Du, Y. Solid State Ionics 1995, 77, 137.
32. Baroni, S.; de Gironcoli, S.; Dal Corso, A.; Giannozzi, P. Rev. Mod. Phys. 2001, 73, 515-562.
33. Münch, W.; Seifert, G.; Kreuer, K. D.; Maier, J. Solid State Ionics 1996, 86-88, 647.
34. Münch, W.; Seifert, G.; Kreuer, K. D.; Maier, J. Solid State Ionics 1997, 97, 39.
35. Kreuer, K. D.; Schönherr, E.; Maier, J. Solid State Ionics 1994, 70-71, 278.
36. Kreuer, K. D. Chem. Mater. 1996, 8, 610.
37. Kreuer, K. D. Solid State Ionics 1999, 125, 285.
38. Pionke, M.; Mono, T.; Schweika, W.; Springer, T.; Schober, H. Solid State Ionics 1999, 125, 497.
39. Goodenough, J. B. Annu. Rev. Mater. Res. 2003, 33, 91.
40. Voter, A. F. Kinetic Monte Carlo. In Radiation Effects in Solids; Sickafus, K. E., Kotomin, E. A., Uberuaga, B. P., Eds.; NATO Science Series; Springer: New York, 2007; Vol. 235.
41. Banerjee, A.; Adams, N.; Simons, J.; Shepard, R. J. Phys. Chem. 1985, 89, 52-57.
42. Kreuer, K. D.; Fuchs, A.; Maier, J. Solid State Ionics 1995, 77, 157.
43. Dudek, M.; Budko, M. M. Solid State Ionics 2002, 157, 183.
44. Matsushita, E.; Tanase, A. Solid State Ionics 1997, 97, 45.
45. Koopmans, H. J. A.; van de Velde, G. M. H.; Gellings, P. J. Acta Crystallogr., Sect. C 1983, 39, 1323.