Investigation of (5, 0) carbon nanotube-like boron structures using density functional theory

Chemical Physics Letters

Volumn 474, Issue 4-6, 2009, Pages 311-314

  Yang, Chuan Lu ^a   An, Yi Peng ^a   Sun, Mei Yu ^a   Wang, Mei Shan ^a   Wang, De Hua ^a   Ma, Xiao Guang ^a   Gong, Yu Bing ^a  

^a LUDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; BORON NANOTUBES; ENERGETIC STABILITY; FREE STRUCTURES; PURE BORON;

BORON; BORON COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES;

CARBON NANOTUBES;

EID: 65749113410     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.04.069     Document Type: Article

References (31)

1. Iijima S. Nature 354 (1991) 56
2. Stéphan O., Ajayan P.M., Colliex C., Redlich P., Lambert J.M., Bernier P., and Lefin P. Science 266 (1994) 1683
3. Weng-Sieh Z., et al. Phys. Rev. B 51 (1995) 11229
4. Redlich P., Loeffler J., Ajayan P.M., Bill J., Aldinger F., and Rühle M. Chem. Phys. Lett. 260 (1996) 465
5. Miyamoto Y., Rubio A., Cohen M.L., and Louie S.G. Phys. Rev. B50 (1994) 4976
6. Blaseé X., Charlier J.C., De Vita A., and Car R. Appl. Phys. Lett. 70 (1997) 97
7. Wu H.S., Xu X.H., Strout D.L., and Jiao H.J. J. Mol. Model. 11 (2005) 1
8. Peralta-Inga Z., Lane P., Murray J.S., Boyd S., Grice M.E., O'Connor C.J., and Politzer P. Nano Lett. 3 (2003) 21
9. Wang W.L., Bai X.D., Liu K.H., Xu Z., Golberg D., Bando Y., and Wang E.G. J. Am. Chem. Soc. 128 (2006) 6530
10. Ciuparu D., Klie R.F., Zhu Y., and Pfefferle L. J. Phys. Chem. B 108 (2004) 3967
11. Quandt A., and Boustani I. Chem. Phys. Chem. 6 (2005) 2001
12. Kunstmann J., and Quandt A. Chem. Phys. Lett. 402 (2005) 21
13. Evans M.H., Joannopoulos J.D., and Pantelides S.T. Phys. Rev. B 72 (2005) 45434
14. Kunstmann J., and Quandt A. Phys. Rev. B 74 (2006) 035413
15. Cabria I., López M.J., and Alonso J.A. Nanotechnology 17 (2006) 778
16. Yan Q.B., Sheng X.L., Zheng Q.R., Zhang L.Z., and Su G. Phys. Rev. B 78 (2008) 201401R
17. Oger E., Crawford N.R.M., Kelting R., Weis P., Kappes M.M., and Ahlrichs R. Angew. Chem. Int. Ed. 46 (2007) 8503
18. Kiran B., Bulusu S., Zhai H.J., Yoo S., Zeng X.C., and Wang L.S. Proc. Natl. Acad. Sci. USA 102 (2005) 961
19. Lau K.C., Pati R., Pandey R., and Pined A.C. Chem. Phys. Lett. 418 (2006) 549
20. Lau K.C., and Pandey R. J. Phys. Chem. C111 (2007) 2906
21. Zhang D.J., Zhu R.X., and Liu C.B. J. Mater. Chem. 16 (2006) 2429
22. Singh A.K., Sadrzadeh A., and Yakobson B.I. Nano Lett. 8 (2008) 1314
23. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
24. Miehlich B., Savin A., Stoll H., and Press H. Chem. Phys. Lett. 157 (1989) 200
25. Delley B. J. Chem. Phys. 92 (1990) 508
26. Delley B. J. Chem. Phys. 113 (2000) 7756
27. Velde G.T., Bickelhaupt F.M., Baerends E.J., Guerra C.F., Van Gisbergen S.J.A., Snijders J.G., and Ziegler T. J. Comput. Chem. 22 (2001) 931
28. Lau K.C., Deshpande M., and Pandey R. Int. J. Quant. Chem. 102 (2005) 656
29. Pearson R.G. J. Am. Chem. Soc. 110 (1988) 2092
30. Jena P., and Castleman Jr. A.W. Proc. Natl. Acad. Sci. USA 103 (2006) 10560
31. Chacko S., Kanhere D.G., and Boustani I. Phys. Rev. B 68 (2003) 035414