Boron B12 cluster embedded in graphitic fragments

Journal of Physical Chemistry B

Volumn 105, Issue 43, 2001, Pages 10546-10553

  Peeters, Anik ^a   Van Alsenoy, C ^a   March, N H ^a,b   Klein, D J ^c   Van Doren, V E ^a  

^a UNIVERSITY OF ANTWERP   (Belgium)

^b UNIVERSITY OF OXFORD   (United Kingdom)

^c TEXAS A AND M UNIVERSITY AT GALVESTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GRAPHITIC FRAGMENTS;

BORON COMPOUNDS; CARRIER CONCENTRATION; CHEMICAL BONDS; CONFORMATIONS; ELECTRONIC STRUCTURE; NANOTUBES; PROBABILITY DENSITY FUNCTION;

GRAPHITE;

EID: 0035525878     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011762z     Document Type: Article

References (32)

1. Dietz, F.; Tyutyulkov, N.; Madjarova, G.; Müllen, K. J. Phys. Chem. B 2000, 104, 1746.
2. Zhu, H.-Y.; Klein, D.J.; Seitz, W.A.; March, N.H. Inorg. Chem. 1995, 34, 1377.
3. Zhu, H.-Y.; Klein, D.J.; March, N.H.; Rubio, A. J. Phys. Chem. Solids 1998, 59, 1303.
4. Stabel, A.; Herwig, P.; Müllen, K.; Rabe, J.P. Angew. Chem., Int. Ed. Engl. 1995, 34, 1609.
5. Boustani, I. Int. J. Quantum Chem. 1994, 52, 1081.
6. Boustani, I. J. Solid State Chem. 1997, 133, 182.
7. Boustani, I. Chem. Phys. Lett. 1995, 240, 135.
8. Boustani, I. Phys. Rev. B 1997, 55, 16426.
9. Boustani, I.; Quandt, A. Europhys. Lett. 1997, 39, 527.
10. Iijima, S. Nature 1991, 354, 56.
11. Bethune, D.S.; Kiang, C.H.; de Vries, M.S.; Gorman, G.; Savoy, R.; Vazquez, J.; Beyers, R. Nature 1993, 363, 605.
12. Chopra, N.G.; Luyken, R.J.; Cherrey, K.; Crespi, V.H.; Cohen, M.L.; Louie, S.G.; Zettl A. Science 1995, 269, 966.
13. Loiseau, A.; Willaime, F.; Demoncy, N.; Hug, G.; Pascard, H. Phys. Rev. Lett. 1996, 76, 4737.
14. Golberg, D.; Bando, Y.; Eremets, M.; Takemura, K.; Kurashima, K.; Yusa, H. Appl. Phys. Lett. 1996, 69, 2045.
15. Golberg, D.; Bando, Y.; Han, W.; Kurashima, K.; Sato, T. Chem. Phys. Lett. 1999, 308, 337.
16. Lowell, C.E. J. Am. Ceram. Soc. 1967, 50, 142.
17. Hishiyama, Y.; Inagaki, M. Carbon 2001, 39, 150.
18. Kouvetakis, J.; Kaner, R.B.; Sattler, M.L., Bartlett, N. J. Chem. Soc. Chem. Commun. 1986, 1758.
19. Hach, C.T.; Jones, L.E.; Crossland, C.; Thrower, P.A. Carbon 1999, 37, 221.
20. Shirasaki, T.; Derre, A.; Menetrier, M.; Tressand, A.; Flandrois, S. Carbon 2000, 38, 1461.
21. Van Alsenoy, C. J. Comput. Chem. 1988, 9, 620.
22. Almlöf, J.; Faegri, K.; Korsell, K. J. Comput. Chem. 1982, 3, 385.
23. Van Alsenoy, C.; Peeters, A. J. Mol. Struct. (THEOCHEM) 1993, 286, 19.
24. Pulay, P. Mol. Phys. 1969, 17, 197.
25. Pulay, P. Theor. Chim. Acta 1979, 50, 299.
26. van Duijneveldt, F.B. IBM Technological Report; Report RJ945; 1971; pp 22 and 31.
27. Gianolio, I.; Pavani, R.; Clementi, E. Gaz. Chim. Ital. 1978, 108, 181.
28. Peeters, A.; Lenstra, A.T.H.; Van Doren, V.E.; Van Alsenoy, C. J. Mol. Struct. (THEOCHEM) 2001, 546, 17.
29. These pyrene atoms are the atoms for which bonds with the rest of the graphite sheet are cut.
30. Alien, F.H.; Kennard, O.; Watson, D.G.; Brammer, L.; Orpen, A.G.; Taylor, R. J. Chem. Soc., Perkin Trans. 2 1987, S1.
31. Hirshfeld, F.L. Theor. Chim. Acta 1977, 44, 129.
32. Klein, D.J.; Bytautas, L. J. Phys. Chem. A 1999, 103, 5196.