The role of intermolecular polarization for the stability of lithium intercalation compounds of α- and β-perylene

Journal of Chemical Physics

Volumn 121, Issue 5, 2004, Pages 2239-2245

  Friedlein, R ^a   Crispin, X ^a   Suess, C ^a   Pickholz, M ^b   Salaneck, W R ^a  

^a LINKÖPING UNIVERSITY   (Sweden)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BORN-HABER CYCLE; INTERMOLECULAR POLARIZATION; PERYLENE; POLYAROMATIC HYDROCARBONS;

ALKALI METALS; BONDING; GRAVIMETRIC ANALYSIS; HYDROCARBONS; INTERCALATION COMPOUNDS; IONIZATION; LITHIUM COMPOUNDS; PHOTOELECTRON SPECTROSCOPY; POLARIZATION; SCREENING;

CHARGE TRANSFER;

EID: 4043157636     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1768153     Document Type: Article

References (40)

1. G. Pistoia, Lithium Batteries (Elsevier, Amsterdam, 1994).
2. D. R. Sadoway and A. M. Mayes, MRS Bull. 27, 591 (2002).
3. J.-M. Tarascon and M. Armand, Nature (London) 414, 359 (2001).
4. M. Keil, P. Samorí, D. A. dos Santos et al., J. Chem. Phys. 116, 10854 (2002).
5. R. Friedlein, X. Crispin, M. Pickholz, M. Keil, S. Stafström, and W. R. Salaneck, Chem. Phys. Lett. 354, 398 (2002).
6. L. Cristofolini, M. Ricco, and R. de Renzi, Phys. Rev. B 59, 8343 (1999).
7. H. Shimoda, B. Gao, X. P. Tang, A. Kleinhammes, L. Fleming, Y. Wu, and O. Zhou, Phys. Rev. Lett. 88, 015502/1 (2002).
8. J. E. Fisher and T. E. Thompson, Phys. Today 36 (1978).
9. V. A. Nalimova, D. Guerard, M. Lelaurain, and O. V. Fateev, Carbon 33, 177 (1995).
10. S. Yata, H. Kinoshita, M. Komori, N. Ando, T. Kashiwamura, and T. Harada, Synth. Met. 62, 153 (1994).
11. K. Sato, M. Noguchi, A. Demachi, N. Oki, and M. Endo, Science 264, 556 (1994).
12. H. Ago, M. Kato, K. Yahara, K. Yoshizawa, K. Tanaka, and T. Yamabe, J. Electrochem. Soc. 146, 1262 (1999).
13. D. A. Morton-Blake, J. Corish, and F. Bénière, Theor. Chim. Acta 68, 389 (1985).
14. M. Nakadaira, R. Saito, T. Kimura, G. Dresselhaus, and M. S. Dresselhaus, J. Mater. Res. 12, 1367 (1997).
15. M. Yagi, R. Saito, T. Kimura, G. Dresselhaus, and M. S. Dresselhaus, J. Mater. Res. 14, 3799 (1999).
16. W. Eberhardt, I. T. McGovern, E. W. Plummer, and J. E. Fisher, Phys. Rev. Lett. 44, 200 (1980).
17. S. Rabii, J. Chomelier, and G. Loupias, Phys. Rev. B 40, 10105 (1989).
18. S. Doyen-Lang, A. Charlier, L. Lang, M. F. Charlier, and E. McRae, Synth. Met. 58, 95 (1993).
19. C. Hartwigsen, W. Witschel, and E. Spohr, Phys. Rev. B 55, 4953 (1997).
20. L. G. Scanlon and G. Sandi, J. Power Sources 81-82, 176 (1999).
21. A. Crispin, X. Crispin, M. Fahiman et al., J. Chem. Phys. 116, 8159 (2002).
22. J. Schnadt, P. A. Brühwiler, N. Mårtenson, A. Lassesson, F. Rohmund, and E. E. B. Campbell, Phys. Rev. B 62, 4253 (2000).
23. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 1976).
24. G. K. Wertheim, P. M. T. M. V. Attekum, and S. Basu, Solid State Commun. 33, 1127 (1980).
25. E. von Freydorf, J. Kinder, and M. E. Michel-Beyerle, Chem. Phys. 27, 199 (1978).
26. J. Tanaka, Bull. Chem. Soc. Jpn. 36, 1237 (1963).
27. R. M. Metzger, Mol. Cryst. Liq. Cryst. 85, 97 (1982).
28. L.-S. Wang, O. Cheshnovsky, R. E. Smalley, J. P. Carpenter, and S. J. Wu, J. Chem. Phys. 96, 4028 (1992).
29. Y. Wang, D. Tománek, G. F. Bertsch, and R. S. Ruoff, Phys. Rev. B 47, 6711 (1993).
30. B* (that is if M is zero), estimated for the lithium α-perylene system at x=2 to be about 0.2 eV.
31. vdW(per) equals the heat of sublimation which can be obtained from the temperature dependence of the saturated vapor pressure [M. Stephenson and S. Malanowski, Handbook of the Thermodynamics of Organic Compounds (Elsevier, New York, 1987)] using the van't Hoff equation [ R. T. Grimley, The Characterization of High-Temperature Vapors (Wiley, New York, 1967)].
32. vdW(per) equals the heat of sublimation which can be obtained from the temperature dependence of the saturated vapor pressure [M. Stephenson and S. Malanowski, Handbook of the Thermodynamics of Organic Compounds (Elsevier, New York, 1987)] using the van't Hoff equation [ R. T. Grimley, The Characterization of High-Temperature Vapors (Wiley, New York, 1967)].
33. R. D. Cowan, The Theory of Atomic Structure and Spectra (University of California Press, Los Angeles, 1981).
34. J. L. Martins and N. Trouiller, Phys. Rev. B 46, 1766 (1992).
35. P. J. Benning, D. M. Poirier, T. R. Ohno et al., Phys. Rev. B 45, 6899 (1992).
36. C. S. Fadley, in Electron Spectroscopy: Theory, Techniques, and Applications, edited by C. R. Brundle and A. D. Baker (Academic, London, 1978).
37. Since the beginning and the end of the cycle only concern solids, all entropy change upon intercalation is neglected since entropic terms are expected to cancel each other significantly over the cycle. This assumption allows us to describe the cycle in terms of enthalpies.
38. C. Gu, D. M. Poirier, M. B. Jost, P. J. Benning, Y. Chen, T. R. Ohno, J. L. Martins, and J. H. Weaver, Phys. Rev. B 45, 6348 (1992).
39. K. H. Frank, P. Yannoulis, R. Dudde, and E. E. Koch, J. Chem. Phys. 89, 7569 (1988).
40. V. V. Aleksandrov, A. I. Belkind, I. Y. Muzikante, E. A. Silinsh, and L. F. Taure, Sov. Phys. Solid State 18, 1405 (1976).