Nicotine adsorption on single wall carbon nanotubes

Journal of Hazardous Materials

Volumn 184, Issue 1-3, 2010, Pages 678-683

  Girão, Eduardo C ^a   Fagan, Solange B ^b   Zanella, Ivana ^b   Filho, Antonio G Souza ^a  

^a FEDERAL UNIVERSITY OF CEARÁ   (Brazil)

^b CENTRO UNIVERSITÁRIO FRANCISCANO   (Brazil)

Author keywords

Ab initio; Carbon nanotubes; Nicotine

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; ADSORPTION PROCESS; ADSORPTION SITE; CHEMICAL BONDINGS; MOLECULAR POSITION; NICOTINE; NITROGEN ATOM; SINGLE-WALL CARBON NANOTUBES; THEORETICAL STUDY; TOTAL ENERGY CURVES;

ADSORPTION; CARBON NANOTUBES; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; PYRIDINE;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

NICOTINE; NITROGEN; SINGLE WALLED NANOTUBE;

ADSORPTION; CARBON; CHEMICAL BONDING; MOLECULAR ANALYSIS; NITROGEN;

ADSORPTION; ARTICLE; CHEMICAL BINDING; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; SURFACE PROPERTY;

ADSORPTION; MOLECULAR CONFORMATION; NANOTUBES, CARBON; NICOTINE; SURFACE PROPERTIES;

EID: 77957887142     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2010.08.091     Document Type: Article

References (37)

1. A. Jorio, M.S. Dresselhaus, G. Dresselhaus, Carbon Nanotubes: Advanced Topics in the Synthesis, Structure, Properties and Applications, Springer-Verlag, Berlin, 2008.
2. Baughman R.H., Zakhidov A.A., de Heer W.A. Carbon nanotubes-the route toward applications. Science 2002, 297:787-792.
3. Biercuk M.J., Llaguno M.C., Radosavljevic M., Hyun J.K., Johnson A.T., Fischer J.E. Carbon nanotube composites for thermal management. Applied Physics Letters 2002, 80:2767-2769.
4. Wang M., Pramoda K.P., Goh S.H. Enhancement of the mechanical properties of poly (styrene-co-acrylonitrile) with poly(methyl methacrylate)-grafted multiwalled carbon nanotubes. Polymer 2005, 46:11510-11516.
5. Brady-Estevez A.S., Kang S., Elimelech M. A single-walled-carbon-nanotube filter for removal of viral and bacterial pathogens. Small 2008, 4:481-484.
6. Mauter M.S., Elimelech M. Environmental applications of carbon-based nanomaterials. Environmental Science & Technology 2008, 42:5843-5859.
7. Hierold C., Jungen A., Stampfer C., Helbling T. Nano electromechanical sensors based on carbon nanotubes. Sensors and Actuators A: Physical 2007, 136:51-61.
8. Romo-Herrera J.M., Terrones M., Terrones H., Meunier V. Guiding electrical current in nanotube circuits using structural defects: a step forward in nanoelectronics. ACS Nano 2008, 2:2585-2591.
9. Kam N.W.S., O'Connell M., Wisdom J.A., Dai H.J. Carbon nanotubes as multifunctional biological transporters and near-infrared agents for selective cancer cell destruction. Proceedings of the National Academy of Sciences of the United States of America 2005, 102:11600-11605.
10. Lu C.S., Chung Y.L., Chang K.F. Adsorption of trihalomethanes from water with carbon nanotubes. Water Research 2005, 39:1183-1189.
11. Long R.Q., Yang R.T. Carbon nanotubes as superior sorbent for dioxin removal. Journal of the American Chemical Society 2001, 123:2058-2059.
12. Li Y.H., Wang S.G., Zhang X.F., Wei J.Q., Xu C.L., Luan Z.K., Wu D.H. Adsorption of fluoride from water by aligned carbon nanotubes. Materials Research Bulletin 2003, 38:469-476.
13. Peng X.J., Li Y.H., Luan Z.K., Di Z.C., Wang H.Y., Tian B.H., Jia Z.P. Adsorption of 1,2-dichlorobenzene from water to carbon nanotubes. Chemical Physics Letters 2003, 376:154-158.
14. Fagan S.B., Souza A.G., Lima J.O.G., Mendes J., Ferreira O.P., Mazali I.O., Alves O.L., Dresselhaus M.S. 1,2-Dichlorobenzene interacting with carbon nanotubes. Nano Letters 2004, 4:1285-1288.
15. Fagan S.B., Girao E.C., Mendes J., Souza A.G. First principles study of 1,2-dichlorobenzene adsorption on metallic carbon nanotubes. International Journal of Quantum Chemistry 2006, 106:2558-2563.
16. Tournus F., Charlier J.C. Ab initio study of benzene adsorption on carbon nanotubes. Physical Review B 2005, 71:165421.
17. Tournus F., Latil S., Heggie M.I., Charlier J.C. pi-stacking interaction between carbon nanotubes and organic molecules. Physical Review B 2005, 72:075431.
18. Chen Z.G., Zhang L.S., Tang Y.W., Jia Z.J. Adsorption of nicotine and tar from the mainstream smoke of cigarettes by oxidized carbon nanotubes. Applied Surface Science 2006, 252:2933-2937.
19. Chepiga T.A., Morton M.J., Murphy P.A., Avalos J.T., Bombick B.R., Doolittle D.J., Borgerding M.F., Swauger J.E. A comparison of the mainstream smoke chemistry and mutagenicity of a representative sample of the US cigarette market with two Kentucky reference cigarettes (K1R4F and K1R5F). Food and Chemical Toxicology 2000, 38:949-962.
20. Xu Y., Zhu J.H., Ma L.L., An J.A., Wei Y.L., Shang X.Y. Removing nitrosamines from mainstream smoke of cigarettes by zeolites. Microporous and Mesoporous Materials 2003, 60:125-138.
21. Besaratinia A., Pfeifer G.P. Second-hand smoke and human lung cancer. Lancet Oncology 2008, 9:657-666.
22. Ray R., Schnoll R.A., Lerman C. Nicotine dependence: biology, behavior, and treatment. Annual Review of Medicine 2009, 60:247-260.
23. Soler J.M, Artacho E., Gale J.D., Garcia A., Junquera J., Ordejon P., Sanchez-Portal D. The SIESTA method for ab initio order-N materials simulation. Journal of Physics: Condensed Matter 2002, 14:2745-2779.
24. Kohn W., Sham L.J. Self-consistent equations including exchange and correlation effects. Physical Review 1965, 140:1133-1138.
25. Troullier N., Martins J.L. Efficient pseudopotentials for plane-wave calculations. Physical Review B 1991, 43:1993-2006.
26. Sankey O.F., Niklewski D.J., Drabold D.A., Dow J.D. Molecular-dynamics determination of electronic and vibrational-spectra, and equilibrium structures of small Si clusters. Physical Review B 1990, 41:12750-12759.
27. Perdew J.P, Zunger A. Self-interaction correction to density-functional approximations for many-electron systems. Physical Review B 1981, 23:5048-5079.
28. Boys S.F., Bernardi F. Calculation of small molecular interactions by differences of separate total energies-some procedures with reduced errors. Molecular Physics 1970, 19:553-566.
29. Girao E.C., Liebold-Ribeiro Y., Batista J.A., Barros E.B., Fagan S.B., Mendes J., Dresselhaus M.S., Souza A.G. Functionalization of single-wall carbon nanotubes through chloroform adsorption: theory and experiment. Physical Chemistry Chemical Physics 2010, 12:1518-1524.
30. Wang C., Wang C.Y. Geometry and electronic properties of single vacancies in achiral carbon nanotubes. European Physical Journal B 2006, 54:243-247.
31. Liu L.V., Tian W.Q., Wang Y.A. Chemical reaction of nitric oxides with the 5-1DB defect of the single-walled carbon nanotube. Journal of Physical Chemistry B 2006, 110:1999-2005.
32. Liu L.V., Tian W.Q., Wang Y.A. Ozonization at the vacancy defect site of the single-walled carbon nanotube. Journal of Physical Chemistry B 2006, 110:13037-13044.
33. Shtogun Y.V., Woods L.M. Electronic and magnetic properties of deformed and defective single wall carbon nanotubes. Carbon 2009, 47:3252-3262.
34. Liu L.V., Tian W.Q., Wang Y.A. Ab initio studies of vacancy-defected fullerenes and single-walled carbon nanotubes. International Journal of Quantum Chemistry 2009, 109:3441-3456.
35. Son Y.W., Cohen M.L., Louie S.G. Energy gaps in graphene nanoribbons. Physical Review Letters 2006, 97:216803.
36. Woods L.M., Badescu S.C., Reinecke T.L. Adsorption of simple benzene derivatives on carbon nanotubes. Physical Review B 2007, 75:155415.
37. Shtogun Y.V., Woods L.M., Dovbeshko G.I. Adsorption of adenine and thymine and their radicals on single-wall carbon nanotubes. Journal of Physical Chemistry C 2007, 111:18174-18181.