Simulation of battery components and interfaces on the atomic scale: Examples of what we can learn

Journal of Power Sources

Volumn 89, Issue 2, 2000, Pages 139-142

  Halley, J W ^a   Duan, Yuhua ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATHODES; COMPUTER SIMULATION; ELECTROCHEMICAL ELECTRODES; INTERFACES (MATERIALS); IONS; POLYELECTROLYTES; THERMAL EFFECTS;

ION TRANSPORT;

LITHIUM BATTERIES;

EID: 0033683005     PISSN: 03787753     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0378-7753(00)00421-3     Document Type: Article

References (23)

1. Gray F. Solid Polymer Electrolytes. 1991;108-111 VCH, New York.
2. Rigby D., Roe R.-J. J. Chem. Phys. 87:1987;7285.
3. Mckechnie J.I., Brown D., Clarke J.H.R. Macromolecules. 25:1992;1562.
4. Brown D., Clarke J.H.R., Okuda M., Yamazaki T. J. Chem. Phys. 100:1994;6011.
5. Neyertz S., Brown D. J. Chem. Phys. 102:1995;9725.
6. Muller-Plath F., v Gunsteren W.F. J. Chem. Phys. 103:1995;4745.
7. Smith G.D., Borodin O., Pekny M., Annis B., Londono D., Jaffe R.L. Spectrochim. Acta, Part A - Mol. Spectrosc. 53A:1997;1273.
8. Lin B., Halley J.W., Boinske P.T. J. Chem. Phys. 105:1996;1668.
9. Johnson J., Saboungi M.L., Price D.L., Ansell S., Russell T.P., Halley J.W., Nielsen B. J. Chem. Phys. 109:1998;7005.
10. Boinske P.T., Curtiss L., Halley J.W., Lin B., Sujiatano A. Comput. Aided Mater. Design. 3:1996;385.
11. Halley J.W., Duan Y., Curtiss L., Baboul A. J. Chem. Phys. 111:1999;3302.
12. Torrell L.M., Schantz S. MacCullum J.R., Vincent C.A. Polymer electrolyte Reviews-2. 1989;1 Elsevier, London.
13. Yang X.Q., Lee H.S., McBreen J., Xu Z.S., Skotheim T.A., Okamoto Y., Lu F. J. Chem. Phys. 101:1994;3230.
14. Lee H.S., Yang X.Q., McBreen J., Xu Z.S., Skotheim T.A., Okamoto Y. J. Electrochem. Soc. 141:1994;886.
15. Lee H.S., Yang X.Q., McBreen J., Choi L.S., Okamoto Y. J. Electrochem. Soc. 143:1996;3825.
16. McBreen J., Wang X.Q., Lee H.S., Okamato Y. J. Electrochem. Soc. 143:1996;3198.
17. McBreen J., Lin I. J. Electrochem. Soc. 139:1992;960.
18. Ratner M.A., Nitzan A. Faraday Discuss. Chem. Soc. 88:1988;19.
19. Forsyth M., Payne V.A., Ratner M.A., deLeeuw S.W., Shriver D.F. Solid State Ionics. 53-56:1992;1011.
20. Halley J.W., Nielsen B. Dougherty D. Proceedings of MRS Symposium on Materials for Energy Storage Applications. 1998.
21. Wong T., Brodwin M., Papke B.L., Shriver D.F. Solid State Ionics. 5:1981;689.
22. Schelling P.K., Halley J.W., Yu N. Phys. Rev. B. 58:1998;1279.
23. Huq R., Farrington G.C. J. Electrochem. Soc. 135:1988;524.