Effects of endohedral element in B24N24 clusters on hydrogenation studied by molecular orbital calculations

Physica E: Low-Dimensional Systems and Nanostructures

Volumn 29, Issue 3-4, 2005, Pages 541-545

  Koi, Naruhiro ^a   Oku, Takeo ^a   Suganuma, Kat Suaki ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Alkali elements; Boron nitride; Doping; Hydrogenation; Molecular orbital calculation

Indexed keywords

ALKALI METALS; BONDING; DOPING (ADDITIVES); HYDROGENATION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

ALKALI-ELEMENTS; BORON NITRIDE; DOPING; MOLECULAR ORBITAL CALCULATIONS;

CUBIC BORON NITRIDE;

EID: 26944494068     PISSN: 13869477     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physe.2005.06.023     Document Type: Conference Paper

References (21)

1. M. Becher, M. Haluska, M. Hirscher, A. Quintel, V. Skakalov, U. Dettlaff-Weglikovska, X. Chen, M. Hulman, Y. Choi, S. Roth, V. Meregalli, M. Parrinello, R. Ströbel, L. Jörissen, M.M. Kappes, J. Fink, A. Züttel, I. Stepanek, and P. Bernier C. R. Phys. 4 2003 1055
2. P.-X. Hou, S.-T. Xu, Z. Ying, Q. -H. Yang, C. Liu, and H.-M. Cheng Carbon 41 2003 2471
3. S. Challet, P. Azais, R.J.-M. Pellenq, O. Isnard, J.-L. Soubeyroux, and L. Duclau J. Phys. Chem. Solids 65 2004 541
4. G. Seifert Solid State Ionics 31 2004 265
5. X. Li, H. Zhu, C. Xu, Z. Mao, and D. Wu Int. J. Hydrogen Energy 28 2003 1251
6. K. Shen Carbon 42 2004 2315
7. K. Shen, and T. Pietrass J. Phys. Chem. B 108 2004 9937
8. R. Ma, Y. Bando, H. Zhu, T. Sato, C. Xu, and D. Wu J. Am. Chem. Soc. 124 2002 7672
9. C. Tang, Y. Bando, X. Ding, S. Qi, and D. Golberg J. Am. Chem. Soc. 124 2002 14550
10. T. Oku, and M. Kuno Diam. Relat. Mater. 12 2003 840
11. T. Oku, M. Kuno, and I. Narita J. Phys. Chem. Solids 65 2004 549
12. T. Oku, and I. Narita Physica B 323 2002 216
13. T. Oku, M. Kuno, H. Kitahara, and I. Narita Int. J. Inorg. Mater. 3 2001 597
14. N. Koi, and T. Oku Solid State Commun. 131 2004 121
15. T. Oku, I. Narita, A. Nishiwaki, and N. Koi Defect Diffus. Forum 226-228 2004 113
16. Z. Yang, S. Sang, K. Huang, and H. Wu Diam. Relat. Mater. 13 2004 99
17. T. Oku, A. Nishiwaki, I. Narita, and M. Gonda Chem. Phys. Lett. 380 2003 620
18. J.J.P. Stewart MOPAC 2002 2001 Fujitsu Ltd Tokyo, Japan
19. D. Colognesi, A.J. Ramirez-Cuesta, M. Zoppi, R. Senesi, and T. Abdul-redah Physica B 350 2004 e983
20. S. Miyajima, M. Kabasawa, and T. Chiba Phys. Rev. Lett. 64 1990 319
21. M. Terauchi, M. Tanaka, K. Suzuki, A. Ogino, and K. Kimura Chem. Phys. Lett. 324 2000 359