Ab initio study of the self-assembly of phenosafranin to carbon nanotubes

Physical Review B - Condensed Matter and Materials Physics

Volumn 73, Issue 16, 2006, Pages

  Vasiliev, Igor ^a   Curran, Seamus A ^a  

^a NEW MEXICO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33646245011     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.165420     Document Type: Article

References (32)

1. J. R. Sheats, J. Mater. Res. JMREEE 0884-2914 10.1557/JMR.2004.0275 19, 1974 (2004), and references therein.
2. T. W. Kelley, P. F. Baude, C. Gerlach, D. E. Ender, D. Muyres, M. A. Haase, D. E. Vogel, and S. D. Theiss, Chem. Mater. CMATEX 0897-4756 10.1021/cm049614j 16, 4413 (2004).
3. A. P. Kulkarni, C. J. Tonzola, A. Babel, and S. A. Jenekhe, Chem. Mater. CMATEX 0897-4756 10.1021/cm049473l 16, 4556 (2004), and references therein.
4. G. Gustafsson, Y. Cao, G. M. Treacy, F. Klavetter, N. Colaneri, and A. J. Heeger, Nature (London) NATUAS 0028-0836 10.1038/357477a0 357, 477 (1992);
5. J. S. Kim, R. H. Friend, F. Cacialli, R. Daik, and W. J. Feast, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.124789 75, 1679 (1999);
6. C. W. Tang, S. A. van Slyke, and C. H. Chen, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.343409 65, 3610 (1989);
7. T. Mori, K. Miyachi, and T. Mizutani, J. Phys. D JPAPBE 0022-3727 10.1088/0022-3727/28/7/027 28, 1461 (1995).
8. S. A. Curran, P. M. Ajayan, W. J. Blau, D. L. Carroll, J. N. Coleman, A. B. Dalton, A. P. Davey, A. Drury, B. McCarthy, S. Maier, and A. Strevens, Adv. Mater. (Weinheim, Ger.) ADVMEW 0935-9648 10.1002/(SICI)1521-4095(199810)10:14<1091::AID-ADMA1091>3.0.CO;2-L 10, 1091 (1998).
9. H. Ago, K. Petritsh, M. S. P. Shaffer, A. H. Windle, and R. Friend, Adv. Mater. (Weinheim, Ger.) ADVMEW 0935-9648 10.1002/(SICI)1521-4095(199910)11:15<1281::AID-ADMA1281>3.3.CO;2-Y 11, 1281 (1999).
10. S. A. Curran, A. V. Ellis, A. Vijayaraghavan, and P. M. Ajayan, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1644109 120, 4886 (2004).
11. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964);
12. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140.A1133 140, A1133 (1965).
13. The official PARSEC project web site is located at http://jrc.cems.umn.edu/codes.htm. More information on PARSEC and other electronic structure codes is also available at http://www.nnin.org/nnin-parsec.html.
14. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
15. N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
16. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980);
17. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
18. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
19. J. R. Chelikowsky, N. Troullier, and Y. Saad, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.1240 72, 1240 (1994);
20. J. R. Chelikowsky, N. Troullier, K. Wu, and Y. Saad, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.11355 50, 11355 (1994).
21. L. Lou, L. Österlung, and B. Hellsing, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481083 112, 4788 (2000).
22. S. Öǧüt and J. R. Chelikowsky, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.3852 83, 3852 (1999).
23. M. E. Casida, in Recent Advances in Density-Functional Methods, edited by, D. P. Chong, (World Scientific, Singapore, 1995), Part 1, p. 155.
24. E. K. U. Gross, J. F. Dobson, and M. Petersilka, in Density Functional Theory, edited by, R. F. Nalewajski, (Springer-Verlag, Berlin, 1996), p. 81.
25. I. Vasiliev, S. Öǧüt, and J. R. Chelikowsky, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.1919 82, 1919 (1999);
26. I. Vasiliev, S. Öǧüt, and J. R. Chelikowsky, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.1813 86, 1813 (2001);
27. I. Vasiliev, S. Öǧüt, and J. R. Chelikowsky, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.115416 65, 115416 (2002).
28. A. G. Marinopoulos, L. Reining, A. Rubio, and N. Vast, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.046402 91, 046402 (2003);
29. A. G. Marinopoulos, L. Wirtz, A. Marini, V. Olevano, A. Rubio, and L. Reining, Appl. Phys. A APAMFC 0947-8396 78, 1157, (2004).
30. W. R. Burdick, Y. Saad, L. Kronik, I. Vasiliev, M. Jain, and J. R. Chelikowsky, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(03)00413-2 156, 22 (2003).
31. V. Lordi, N. Yao, and J. Wei, Chem. Mater. CMATEX 0897-4756 10.1021/cm000210a 13, 733 (2001).
32. Y. Li, C. Xu, B. Wei, X. Zhang, M. Zheng, D. Wu, and P. M. Ajayan, Chem. Mater. CMATEX 0897-4756 10.1021/cm010738v 14, 483 (2002).