Quantum chemical model for lithium electrochemical intercalation into molybdenum disulfide

Journal of the Chilean Chemical Society

Volumn 48, Issue 4, 2003, Pages 69-75

  Mendizábal, Fernando ^a   Santa Ana, María Angélica ^a   Benavente, Eglantina ^b   González, Guillermo ^a  

^a UNIVERSITY OF CHILE   (Chile)

^b UNIVERSIDAD TECNOLÓGICA METROPOLITANA   (Chile)

Author keywords

Electrochemical charge capacity; Electron chemical potential; Lithium intercalation; Molydenum disulfide; Quantum chemical model

Indexed keywords

DISULFIDE; LITHIUM; MOLYBDENUM;

ARTICLE; ATOMIC PARTICLE; CHEMICAL ANALYSIS; DENSITY FUNCTIONAL THEORY; DIFFUSION; ELECTRIC POTENTIAL; ELECTROCHEMISTRY; ELECTRON; ELECTRON TRANSPORT; GAS; HARDNESS; MODEL; MOLECULE; QUANTUM CHEMISTRY; SYNTHESIS;

EID: 1842630294     PISSN: 07179324     EISSN: None     Source Type: Journal    
DOI: 10.4067/s0717-97072003000400011     Document Type: Article

References (53)

1. P. B. Lemon, J. Wu, C. Oriakhi and M. M. Lerner. Electrochim. Acta 40, 2245 (1995)
2. X. Zhou, D. Yang and R. F. Frindt. J. Phys. Chem. Solids 57, 1137 (1996)
3. R. Bissessur, R. I. Haines, D. R. Hutchings and R. Brüning. J. Chem. Soc., Chem. Commun. 1598 (2001)
4. E. Benavente, M. A. Santa Ana, F. Mendizábal and G. González. Coord. Chem. Rev. 224, 87 (2002)
5. I. R. Gamble, J. H. Osiecki, M. Cais, R. Pisharody, F. J. DiSalvo and T. H. Gaballe. Science 174, 493 (1971)
6. F. J. DiSalvo, G. W. Hull Jr, L. H. Schwartz, J. M. Voorhoeve and J. V. Waszczak. J. Chem. Phys. 59, 1922 (1973)
7. A. Lerf and R. Schöllhorn. Inorg. Chem. 16, 2950 (1977)
8. M. S. Whittingham. Prog. Solid St. Chem. 12, 41 (1978)
9. A. D. Yoffe. Solid State Ionics 39, 1 (1990)
10. K. K. Kam and B. J. Parkinson. J. Phys. Chem. 86, 463 (1982)
11. K. Chrissafis, M. Zamani, K. Kambas, J. Stoemenos, N. A. Economou, I. Samaras and C. Julien. Mater. Sci. Eng. B 3, 145 (1989)
12. C. Julien, T. Sekine and M. Balkanski. Solid State Ionics 48, 225 (1991)
13. J. Heising and M. G. Kanatzidis. J. Am. Chem. Soc. 121, 638 (1999)
14. L. F. Mattheiss. Phys. Rev. B 8, 3719 (1973)
15. M. A. Py and R. R. Haering. Can. J. Phys. 61, 76 (1983)
16. M. B. Dines. Mater. Res. Bull. 10, 287 (1975)
17. P. Joensen, R. F. Frindt and S. R. Morrison. Res. Bull. Mater. 21, 457 (1986)
18. E. Benavente and G. González. Mat. Res. Bull. 32, 709 (1997)
19. W. Y. Liang. Intercalation in Layered Materials (NATO ASI Series B, vol 148) ed. M. S. Dresselhaus (New York: Plenum 1990) p 31
20. W. Y. Liang. Mater. Sci. Eng. B 3, 139 (1990)
21. B. G. Silbernagel and M. S. Whittingham. J. Chem. Phys. 64, 3670 (1976)
22. F. Mendizábal, R. Contreras and A. Aizman. Theochem. 335, 161 (1995)
23. F. Mendizábal, R. Contreras and A. Aizman. J. Phys.: Condens. Matter. 9, 3011 (1997)
24. G. González and H. Binder. Bol. Soc. Chil. Quím. 41, 121 (1996)
25. W. R. Mackinnon Chemical Physics of Intercalations. (NATO ASI series. B, vol 172) eds. A. P. Legrand and S. Flandrois (New York: Plenum 1992) p 181.
26. R. Huisman, R. de Jonge, C. Haas and F. Jellinet. J. Solid State Chem. 3, 56 (1971)
27. C. Umrigar, D. Ellis, D. Wang, H. Krakaver and M. Posternak. Phys. Rev. B 26, 4935 (1982)
28. T. R. Coley, W. A. Goddard III and J. D. Baldeschwieler. J. Vac. Sci. Technol. B 9, 470 (1991)
29. P. C. H. Mitchell and C. Plant. Bull. Soc. Chim. Belg. 104, 293 (1995)
30. M. Kertesz and R. Hoffmann. J. Am. Chem. Soc. 106, 3453 (1984)
31. R. H. Friend and A. D.Yoffe. Adv. Phys. 36, (1987)
32. R. Hoffmann. J. Chem. Phys. 39, 1397 (1993)
33. H. L. Yu. Phys. Rev. B 15, 3609 (1977)
34. P. Mulhern. J. Can. J. Phys. 67, 1049 (1989)
35. M. S. Whittingham. J. Electroanal. Chem. 118, 229 (1981)
36. R. B. Somoano, V. J. Hadek and A. Rembaum. J. Chem. Phys. 58, 697 (1973)
37. R. R. Haering, J. A. R. Stiles and K. Brandt. U.S. Patent No 4.224.390 (1980)
38. I. Samaras, S. I. Saikh, C. Julien and M. Balkanski. Mat. Sc. and Eng. B 3, 209 (1989)
39. L. S. Selwyn, W. R. McKinnon, U. von Sacken and C. A. Jones. Solid State Ionics 22, 337 (1987)
40. M. A. Santa Ana and G. González. Bol. Soc. Chil. Quím. 37, 157 (1992)
41. C. Robira and M. H. Whangbo. Inorg. Chem. 32, 4094 (1993)
42. A. J. Berlinsky, W. G. Unruh, W. R. McKinnon and R. R. Haering. Solid State Commun. 31, 135 (1979)
43. C. Julien and G. A. Nazri, Solid State Batteries: Materials Design and Optimization New York: Kluwer Academic Publishers, 1994, Chap 1.
44. G. Pacchioni, P. S. Bagus, M. R. Philpott and C. J. Nelin. Int. J. Quantum Chem. 38, 615 (1990)
45. R. G. Parr, R. A. Donnelly, M. Levy and W. R. Palke. J. Chem. Phys. 68, 3801 (1978)
46. R.G. Pearson. Acc. Chem. Res. 26, 250 (1993)
47. R.G. Pearson (Ed) Chemical Hardness (Weinheim: Willey V C H, 1997)
48. T. A. Koopman. Physica 1, 104 (1933)
49. F. Mendizábal, R. Contreras and A. Aizman. Int. J. Quantum Chem. 58, 819 (1995)
50. P. J. Politzer. Chem. Phys. 86, 1072 (1987)
51. J. E. Huheey. J. Org. Chem. 36, 204 (1971)
52. J. E. Huheey. J. Phys. Chem. 69, 3284 (1965)
53. R. G. Parr and R. G. Pearson. J. Am. Chem. Soc. 105, 7512 (1983)