Development and application of nonequilibrium simulation program for ion diffusion in battery

Solid State Ionics

Volumn 152-153, Issue , 2002, Pages 279-284

  Jung, Changho ^a   Morito, Hideaki ^a   Kobayashi, Yasunori ^a   Suzuki, Ken ^a   Takami, Seiichi ^a   Kubo, Momoji ^a   Miyamoto, Akira ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Cathode materials; LiCoO2; Lithium secondary battery; Nonequilibrium molecular dynamics

Indexed keywords

COMPUTER SIMULATION; DIFFUSION; IONS; MOLECULAR DYNAMICS; SOLID STATE PHYSICS;

SOLID STATE IONICS MATERIALS;

LITHIUM BATTERIES;

EID: 0036901319     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0167-2738(02)00312-0     Document Type: Conference Paper

References (25)

1. Mizushima K., Jones P.C., Wiseman P.J., Goodenough J.B. Mater. Res. Bull. 15:1980;783.
2. Reimers J.N., Dahn J.R. J. Electrochem. Soc. 139:1992;2091.
3. Dahn J.R., von Sacken U., Juzkow M.W., Ai-Janaby H. J. Electrochem. Soc. 138:1991;2207.
4. Ohzuku T., Ueda A., Nagayama M. J. Electrochem. Soc. 140:1993;1862.
5. Ohzuku T., Kitagawa M., Hirai T. J. Electrochem. Soc. 137:1990;769.
6. Dahn J.R., Fuller E.W., Obrovac M., Sacken U. Solid State Ionics. 69:1994;265.
7. Jang D.H., Shin Y.J., Oh S.M. J. Electrochem. Soc. 143:1996;2204.
8. Gummow R.J., de Kock A., Thackeray M.M. Solid State Ionics. 69:1994;59.
9. Suzuki K., Oumi Y., Takami S., Kubo M., Miyamoto A. Jpn. J. Appl. Phys. 39:2000;4318.
10. Ammundsen B., Roziere J., Islam M.S. J. Phys. Chem., B. 101:1997;8156.
11. Ammundsen B., Burns G.R., Islam M.S., Kanoh H., Roziere J. J. Phys. Chem., B. 103:1999;5175.
12. Deiss E., Wokaun A., Barras J.L., Daul C., Dufek P. J. Electrochem. Soc. 144:1997;3877.
13. Ceder G., Chiang Y.M., Sadoway D.R., Aydinol M.K., Jang Y.I., Huang B. Nature. 392:1998;694.
14. Wolverton C., Zunger A. Phys. Rev., B. 57:1998;2242.
15. Benco L., Barras J., Atanasov M., Daul C., Deiss E. J. Solid State Chem. 145:1999;503.
16. Sarnthein J., Schwarz K., Blochl P.E. Phys. Rev., B. 53:1996;9084.
17. Islam M.S., Cherry M., Catlow C.R.A. J. Solid State Chem. 124:1996;230.
18. Wilde P.J., Catlow C.R.A. Solid State Ionics. 112:1998;185.
19. Verlet L. Phys. Rev. 159:1967;98.
20. Ewald P.P. Ann. Phys. 64:1921;253.
21. Miura R., Yamano H., Yamauchi R., Katagiri M., Kubo M., Vetrivel R., Miyamoto A. Catal. Today. 23:1995;409.
22. Kawamura K. Yonezawa F. Molecular Dynamics Simulation. 1992;88 SpringerVerlag, Berlin.
23. K. Suzuki, T. Kanougi, Y. Oumi, H. Takaba, M. Kubo, A. Chatterjee, K. Teraishi, A. Miyamoto, M. Kikuchi, N. Yamazaki, M. Mita, Solid State Ionics, in preparation.
24. Moore B.J., White J. J. Mater. Sci. 9:1974;1401.
25. Wyckoff R.W.G. Crystal Structure. vol. 2:1986;Robert E. Kringer Publishing, Florida.