Molecular dynamics simulations of Li insertion in a nanocrystalline V 2O5 thin film cathode

Journal of the Electrochemical Society

Volumn 152, Issue 2, 2005, Pages

  Li, Weiqun ^a   Garofalini, Stephen H ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; CATHODES; COMPUTER SIMULATION; ELECTROLYTES; FUSED SILICA; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; PROBABILITY DENSITY FUNCTION; THERMAL EXPANSION; THIN FILMS; VANADIUM COMPOUNDS;

COMPLEMENTARY SIGMOIDAL FUNCTIONS (CSF); INTERATOMIC POTENTIALS; INTERGRANULAR FILMS (IGF); MOLECULAR DYNAMICS SIMULATIONS;

LITHIUM;

EID: 14744280389     PISSN: 00134651     EISSN: None     Source Type: Journal    
DOI: 10.1149/1.1848345     Document Type: Article

References (13)

1. O. Prado, L. Fournès, and C. Delmas, Solid State Ionics, 138, 19 (2000).
2. C. Delmas, Mater. Sci. Eng., B, 3, 97 (1989).
3. C. Delmaa, C. Fouasaier, and P. Hagenmuller, Physica B &A C, 99, 81 (1980).
4. A. N. Mansour, P. H. Smith, W. M. Bker, M. Balasubramanian, and J. McBreen, Electrochim. Acta, 47, 3151 (2002).
5. S.-II Pynn, M -H. Lee, and H.-c. Shin. J. Power Sourcs, 97-98, 473 (2001).
6. M. D. Levi, Z. Lu, and D. Aurbach, J. Power Sources, 97-98, 482 (2001).
7. M. Garcia and S. H. Garofalini, J. Electrochem. Soc., 146, 840 (1999).
8. J. S. Braithwaite, C. R. A. Catlow, and J. H. Harding, Chem. Mater., 11, 1990 (1999).
9. A, E. Semenov, I. N. Borodina, and S. H. Garofalini, J. Electrochem. Soc., 148. A1239 (2001).
10. S. H Garofalini. J. Power Sources, 110, 412 (2002).
11. M. Garcia. E. Webb, and S. H. Garofalini, J. Electrochem. Soc., 145, 2155 (1998).
12. S. H. Garofalini and P. Shadwell. J. Electrochem. Soc., 83, 2273 (2000).
13. R. W. G. Wyckoff, Crystal Structures, 2d ed., New York: Interscience Publishers, New York (1963).