Structures and formation energies of LixC6 (x=1-3) and its homologues for lithium rechargeable batteries

Bulletin of the Korean Chemical Society

Volumn 32, Issue 6, 2011, Pages 2045-2050

  Doh, Chil Hoon ^a   Han, Byung Chan ^b   Jin, Bong Soo ^a   Gu, Hal Bon ^c  

^a Korea Electrotechnology Research Institute (KERI)   (South Korea)

^b Stanford University   (United States)

^c Chonnam National University   (South Korea)

Author keywords

Formation energy; Graphites; Intercalation; Lithium battery; Potential

Indexed keywords

BINARY COMPOUNDS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FORMATION ENERGIES; GRAPHENE LAYERS; GRAPHITIC MATERIALS; LAYER SPACINGS; LITHIUM COMPOSITION; LITHIUM METALS; LITHIUM RECHARGEABLE BATTERIES; POSITIVE VALUE; POTENTIAL; REACTION POTENTIAL; TOTAL ENERGY;

BORON; BORON COMPOUNDS; DENSITY FUNCTIONAL THEORY; GRAPHENE; GRAPHITE;

LITHIUM;

EID: 79959479644     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2011.32.6.2045     Document Type: Article

References (25)

1. Nazri, G.-A., Pistoia, G., Eds.; Lithium Batteries; Kluwer Academic Publishers; Boston: ISBN 1-4020-7628-2, 2004.
2. Yoshio, M.; Brodd, R. J.; Kozawa, A. Lithium-Ion Batteries; Springer Science and Business Media, ISBN 978-0-387-34444-7, 2009.
3. Fauster, J. E.; Himpsel, F. J.; Fischer, J. E.; Plummer, E. W. Physical Review Letters 1983, 51, 430.
4. Yazami, R.; Reynier, Y. J. Power Sources 2006, 153, 312.
5. Titantah, J. T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. Carbon 2009, 47, 2501.
6. Suzuki, S.; Hasegawa, T.; Mukai, S. R.; Tamon, H. Carbon 2003, 41, 1933.
7. Li, G.; Li, X.; Wang, C.; Ma, G. THEOCHEM 2009, 910, 55.
8. Yamamoto, M.; Imamura, H. TANSO 2004, 212, 81.
9. Imai, Y.; Watanabe, A. J. Alloys and Compounds 2007, 439, 258.
10. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, 558(R);
11. 1994, 49, 14251.
12. Blochl, P. E. Phys. Rev. B 1994, 750, 17953.
13. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
14. Zhou, F.; Marianetti, C. A.; Cococcioni, M.; Morgan, D.; Ceder, G. Phys. Rev. B 2004, 69, 201101(R).
15. Van der Ven, A. Ph.D. Thesis, Massachusetts Institute of Technology, 2000.
16. Zhou, F.; Cococcioni, M.; Marianetti, C. A.; Morgan, D.; Ceder, G. Phys. Rev. B 2004, 70, 235121.
17. Zhou, F.; Cococcioni, M.; Kang, K.; Ceder, G. Electrochem. Commun. 2004, 6(11), 1144.
18. Rabii, S.; Guerard, D. J. Physics and Chemistry of Solids 2008, 69, 1165.
19. Yamamoto, M.; Imamura, H. TANSO 2004, 212, 81.
20. Imai, Y.; Watanabe, A. J. Alloys and Compounds 2007, 439, 258.
21. Balbuena, P. B., Wang, Y., Eds; Lithium-Ion Batteries - Solid- Electrolyte Interphase; Imperial College Press: ISBN 1-86094-362-4, 2004.
22. Tossici, R.; Janot, R.; Nobili, F.; Gerard, D.; Marassi, R. Electrochim. Acta 2003, 48, 1419.
23. Guerard, D.; Janot, R. J. Phys. Chem. Solids 2004, 65, 147.
24. Hanot, R.; Conard, J.; Guerard, D. Carbon 2001, 39, 929.
25. Nalimova, V. A.; Guerard, D.; Lelaurain, M.; Fateev, O. V. Carbon 1995, 33, 177.