Effects of influence of carbon ring-doping on NMR parameters of boron phosphide nanotubes: A DFT study

Arabian Journal of Chemistry

Volumn 8, Issue 2, 2015, Pages 168-173

  Rezaei Sameti, M ^a  

^a MALAYER UNIVERSITY   (Iran)

Author keywords

BPNTs; Carbon ring doping; Chemical shielding; DFT

Indexed keywords

ELECTRONIC STRUCTURE; III-V SEMICONDUCTORS; NANOTUBES; SHIELDING;

BORON PHOSPHIDE; BPNTS; C-DOPING; CARBON RINGS; CHEMICAL SHIELDING; DFT STUDY;

DENSITY FUNCTIONAL THEORY;

EID: 84925290192     PISSN: 18785352     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.arabjc.2010.10.035     Document Type: Article

References (30)

1. Arenal R., Ferrari A.C., Reich S., Wirtz L., Mevellec J.Y., Lefrant S., Rubio A., Loiseau A. Nano Lett. 2006, 6:1812.
2. Baughman R.H., Cui C.X., Zakhidov A.A., Iqbal Z., Barisci J.N., Spinks G.M., Wallace G.G., Mazzoldi A., De Rossi D., Rinzler A.G., Jaschinski O., Roth S., Kertesz M. Science 1999, 284:1340.
3. Blase X., Rubio A., Louie S.G., Cohen M.L. Europhys. Lett. 1994, 28:335.
4. Chen X., Ma J., Hu Z., Wu Q., Chen Y. J. Am. Chem. Soc. 2005, 127:17144.
5. Chopra N.G., Luyken R.J., Cherrey K., Crespi V.H., Cohen M.L., Louie S.G., Zettl A. Science 1995, 269:966.
6. Ditchfield R., Hehre W.J., Pople J.A. J. Chem. Phys. 1971, 54:724.
7. Ferreira V.A., Leite Alves H.W. J. Cryst. Growth 2008, 310:3973.
8. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui K., Morokuma Q., Salvador P., Dannenberg J.J., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Gonzalez C., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Andres J.L., Gonzalez C., Head-Gordon M., Replogle E.S., Pople J.A. Gaussian 98 2001, Gaussian Inc., Pittsburgh, PA.
9. Guo C.S., Fan W.J., Chen Z.H., Zhang R.Q. Solid State Commun. 2006, 137:549.
10. Harris P.J.F. Carbon Nanotubes and Related Structures 1999, Cambridge University Press, Cambridge.
11. Kohn W., Sham L.J. Phys. Rev. 1965, 140:1133.
12. Lee C., Yang W., Parr R.G. Phys. Rev. B 1988, 37:785.
13. Li F., Xia Y., Zhao M., Liu X., Huang B., Ji Y., Song C. Phys. Lett. A 2006, 357:369.
14. Loiseau A., Willaime F., Demoncy N., Hug G., Pascard H. Phys. Rev. Lett. 1996, 76:4737.
15. Mirzaei M. J. Phys. Chem. 2009, 223:815.
16. Mirzaei M. Physica E 2009, 41:883.
17. Mirzaei M. J. Mol. Model. 2010, 17:89.
18. Mirzaei M., Giahi M. Physica E 2010, 42:1667.
19. Mirzaei M., Hadipour N.L., Seif A., Giahi M. Physica E 2008, 40:3060.
20. Mirzaei M., Seif A., Hadipour N.L. Chem. Phys. Lett. 2008, 461:246.
21. Mpourmakis G., Froudakis G.E. Catal. Today 2007, 120:341.
22. Nirmala V., Kolandaivel P. J. Mol. Struct. (THEOCHEM) 2007, 817:137.
23. Oku T. Physica B 2002, 323:357.
24. Schroten E., Goossens A., Schoonman J. J. Appl. Phys. 1998, 83:1660.
25. Seif A., Mirzaei M., Aghaie M., Boshra A. Z. Naturforsch. 2007, 62:711.
26. Shen H. Comput. Mater. Sci. 2009, 47:220.
27. Sieh Z.W., Cherrey K., Chopra N.G., Blase X., Miyamoto Y., Rubio A., Cohen M.L., Louie S.G., Zettl A., Gronsky R. Phys. Rev. B 1995, 51:11229.
28. Zhang D., Zhang R.Q. Chem. Phys. Lett. 2003, 371:426.
29. Zhang C., Li R., Zhang D., Shang Z., Wang G., Liang Y., Xing Y., Pan Y., Cai Z., Zhao X., Liu C. J. Mol. Struct. (THEOCHEM) 2006, 765:1.
30. Zhou O., Shimoda H., Gao B., Oh S., Fleming L., Yue G. Acc. Chem. Res. 2002, 35:1045.