DFT study of NH3(H2O)n=0,1,2,3 complex adsorption on the (8, 0) single-walled carbon nanotube

Computational Materials Science

Volumn 48, Issue 3, 2010, Pages 655-657

  Shirvani, Bahram B ^a   Beheshtian, Javad ^a   Parsafar, Gholamabbas ^b   Hadipour, Nasser L ^a  

^a TARBIAT MODARES UNIVERSITY   (Iran)

^b SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Carbon nanotube; DFT; NH3 adsorption

Indexed keywords

AMMONIA MOLECULES; COUPLING ENERGIES; DFT; DFT STUDY; THEORETICAL STUDY; WATER MOLECULE;

ADSORPTION; BINDING ENERGY; CARBON NANOTUBES; CHEMICAL BONDS; COMPLEXATION; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; MOLECULES;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 77950929048     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.02.035     Document Type: Article

References (31)

1. Ijima S. Nature 354 (1991) 56
2. Kuznetsova A., Yates J.T., Liu J., and Smalley R.E. J. Chem. Phys. 112 (2000) 9590
3. Kuznetsova A., Yates J.T., Simonyan V.V., Johnson J.K., Huffman C.B., and Smalley R.E. J. Chem. Phys. 115 (2001) 6691
4. Byl O., Kondratyuk P., Forth S.T., FitzGerald S.A., Chen L., Johnson J.K., and Yates J.T. J. Am. Chem. Soc. 125 (2003) 5889
5. Dillon A.C., and Heben M.J. Appl. Phys. A 72 (2001) 133
6. Froudakis G.E. J. Phys. Condens. Matter 14 (2002) 453
7. Efremenko I., and Sheintuch M. Langmuir 21 (2005) 6282
8. Arellano J.S., Molina L.M., Rubio A., López M.J., and Alonso J.A. J. Chem. Phys. 117 (2002) 2281
9. Lubezky A., Chechelnitsky L., and Folman M. J. Chem. Soc. Faraday Trans. 92 (1996) 2269
10. Fastow M., Kozirovski Y., Folman M., and Heidberg J. J. Phys. Chem. 96 (1992) 6126
11. Kong J., Franklin N.R., Zhou C., Chapline M.G., Peng S., Cho K., and Dai H. Science 287 (2000) 622
12. Peng S., Cho K., Qi P.F., and Dai H.J. Chem. Phys. Lett. 387 (2004) 271
13. Sumanasekera G.U., Adu C.K.W., Fang S., and Eklund P.C. Phys. Rev. Lett. 85 (2000) 1096
14. Li J., Lu Y.J., Ye Q., Cinke M., Han J., and Meyyappan M. Nano Lett. 3 (2003) 929
15. Valentini L., Armentano I., Kenny J.M., Cantalini C., Lozzi L., and Santucci S. Appl. Phys. Lett. 82 (2003) 961
16. Chopra S., Pham A., Gaillard J., Parker A., and Rao A.M. Appl. Phys. Lett. 80 (2002) 4632
17. Bauschlicher Jr. C.W., and Ricca A. Phys. Rev. B 70 (2004) 115409-115411
18. Goldoni A., Larciprete R., Petaccia L., and Lizzit S. J. Am. Chem. Soc. 125 (2003) 11329
19. Sung D., Hong S., Kim Y.H., Park N., Kim S., Maeng S.L., and Kim K.C. Appl. Phys. Lett. 89 (2006) 243110
20. Zhao J.J., Buldum A., Han J., and Lu J.P. Nanotechnology 13 (2002) 195
21. Derycke V., Martel R., Appenzeller J., and Avouris P.H. Appl. Phys. Lett. 80 (2002) 773
22. Bradley K., Gabriel J.-C.P., Briman M., Star A., and Grüner G. Phys. Rev. Lett. 91 (2003) 218301-218311
23. Feng X., Irle S., Witek H., Morokuma K., Vidic R., and Borguet E. J. Am. Chem. Soc. 127 (2005) 1533
24. Grüner G. Anal. Bioanal. Chem. 384 (2006) 322
25. Pantarotto D., Partidos C.D., Graff R., Hoebeke J., Briand J.P., Prato M., and Bianco A. J. Am. Chem. Soc. 125 (2003) 6160
26. Xu X., and Goddard III W.A. Proc. Natl. Acad. Sci. USA 101 (2004) 2673
27. J.T. Frey, D.J. Doren, TubeGen 3.3; University of Delaware: Newark, DE, 2005, .
28. Ellison M.D., Crotty M.J., Koh D., Spray R.L., and Tate K.E. J. Phys. Chem. B 108 (2004) 7938
29. Buck U., and Huisken F. Chem. Rev. 100 (2000) 3863
30. Nauta K., and Miller R.E. Science 287 (2000) 293
31. Lenz A., and Ojamae L. J. Phys. Chem. A 110 (2006) 13388