Molecular dynamics simulation on diffusion of lithium atom pair in C150H30 cluster model for glassy carbon at very low temperatures

Electrochimica Acta

Volumn 48, Issue 12, 2003, Pages 1727-1733

  Shimizu, Akira ^a   Tachikawa, Hiroto ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

Diffusion; Glassy carbon; Li atom pair; Molecular dynamics; Trajectory of Li atom

Indexed keywords

CHEMICAL BONDS; DECOMPOSITION; DIFFUSION; ELECTRONIC STRUCTURE; HYDROCARBONS; IONIC CONDUCTION; LITHIUM BATTERIES; MOLECULAR DYNAMICS; STRETCHING;

GLASSY CARBON ELECTRODES;

ELECTROCHEMICAL ELECTRODES;

EID: 0037879592     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0013-4686(03)00152-X     Document Type: Article

References (16)

1. Hérold A. Pietronero L., Tosati E. Physic of Intercalation Compounds. 1981;Springer, Berlin.
2. Yata S., Kinoshita H., Komori M., Ando N., Kashiwamura T., Harada T., Tanaka K., Yamabe T. Synth. Met. 62:1994;153.
3. Dahn J.R., Zheng T., Liu Y., Xue J.S. Science. 270:1995;590.
4. Lehnert W., Schmickler W., Bannerjee A. Chem. Phys. 163:1992;331.
5. Nakadaira M., Saito R., Kimura T., Dresselhaus G., Dresselhaus M.S. J. Mater. Res. 12:1997;1367.
6. Fujita M., Wakabayashi K., Nakada K., Kusakabe K. J. Phys. Soc. Jpn. 65:1996;1920.
7. Sato K., Noguchi M., Demachi A., Oki N., Endo M. Science. 264:1994;556.
8. Ago H., Nagata K., Yoshizawa K., Tanaka K., Yamabe T. Bull. Chem. Soc. Jpn. 70:1997;1717.
9. Ishikawa S., Madjarova G., Yamabe T. J. Phys. Chem. B. 105:2001;11986.
10. Márquez A., Vargas A., Balbuena P.B. J. Electrochem. Soc. 145:1998;3328.
11. Shimizu A., Tachikawa H. J. Phys. Chem. Solids. 61:2000;1895.
12. Shimizu A., Tachikawa H. J. Mol. Struct. (Theochem.). 544:2001;173.
13. Shimizu A., Tachikawa H. Chem. Phys. Lett. 339:2001;110.
14. Shimizu A., Tachikawa H. J. Phys. Chem. Solids. 63:2002;619.
15. Allinger N.L. J. Am. Chem. Soc. 99:1977;8127.
16. Shimizu A., Tachikawa H. J. Phys. Chem. Solids. 64:2003;807.