Theoretical studies on the adsorption of small molecules on Pt-doped BN nanotubes

Journal of Molecular Structure: THEOCHEM

Volumn 948, Issue 1-3, 2010, Pages 83-92

  Dong, Qi ^a   Li, Xi Mao ^a   Tian, Wei Quan ^a   Huang, Xu Ri ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Conductivity; Density functional theory; Gas sensor; Pt doped BN nanotube; Small gas molecule

Indexed keywords

EID: 77950369326     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.02.024     Document Type: Article

References (32)

1. Chopra N.G., Luyken R.J., Cherrey K., Crespi V.H., Cohen M.L., Louie S.G., and Zettl A. Science 269 (1995) 966
2. Rubio A., Corkill J.L., and Cohen M.L. Phys. Rev. B 49 (1994) 5081
3. Terrones M. Int. Mater. Rev. 49 (2004) 325
4. Gooding J.J. Electrochim. Acta 50 (2005) 3049
5. Dyke C.A., and Tour J.M. J. Phys. Chem. A 108 (2004) 11151
6. Dresselhaus M.S., Dresselhaus G., and Jorio A. Ann. Rev. Mat. Res. 34 (2004) 247
7. Serp P., Corrias M., and Kalck P. Appl. Catal. A 253 (2003) 337
8. Golberg D., Bando Y., Kurashima K., and Sato T. Scr. Mater. 44 (2001) 1561
9. Baierle R.J., Piquini P., Schmidt T.M., and Fazzio S.J. J. Phys. Chem. B 110 (2006) 21184
10. Li F., Xia Y., Zhao M., Liu X., Huang B., Ji Y., and Song C. Phys. Lett. A 357 (2006) 369
11. Shevlin S.A., and Guo Z.X. Phys. Rev. B 76 (2007) 024104
12. Durgun E., Jang Y.R., and Ciraci S. Phys. Rev. B 76 (2007) 073413
13. Wu X., Yang J.L., and Zeng X.C. J. Chem. Phys. 125 (2006) 044704
14. Li X.M., Tian W.Q., Huang X.R., Sun C.C., and Jiang L. J. Mol. Struct. (THEOCHEM) 901 (2009) 103
15. Li X.M., Tian W.Q., Huang X.R., Sun C.C., and Jiang L. Chem. J. Chin. Univ. 30 (2009) 2473
16. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
17. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299
18. Dunning T.H., and Hay P.J. In: Schaefer III H.F. (Ed). Modern Theoretical Chemistry (1976), Plenum, New York
19. E.D. Glendening, A.E. Carpenter, F. Weinhold, NBO, Version 3.1, 1995.
20. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899
21. O'Boyle N.M., Tenderholt A.L., and Langner K.M. J. Comput. Chem. 29 (2008) 839
22. Frisch M.J., Trucks G.W., Schlegel H.B., et al. GAUSSIAN 03, Revision B.03 (2003), Gaussian Inc., Pittsburgh, PA
23. Tian W.Q., Liu L.V., and Wang Y.A. Phys. Chem. Chem. Phys. 8 (2006) 3528
24. Yeung C.S., Liu L.V., and Wang Y.A. J. Comput. Theor. Nanosci. 4 (2007) 1108
25. Yeung C.S., Liu L.V., and Wang Y.A. J. Phys. Chem. C 112 (2008) 7401
26. Gou G.Y., Pan B.C., and Shi L. Phys. Rev. B 76 (2007) 155414
27. Zhang J., Loh K.P., Zheng J.W., Sullivan M.B., and Wu P. Phys. Rev. B 75 (2007) 245301
28. Öfner H., and Zaera F. J. Phys. Chem. B 101 (1997) 396
29. Housecroft C.E., and Sharpe A.G. Inorganic Chemistry. first ed. (2001), Pearson Education Limited, Essex, England
30. Peng S., and Cho K. Nano Lett. 3 (2003) 513
31. Collins P.G., Bradley K., Ishigami M., and Zettl A. Science 287 (2000) 1801
32. Kong J., Franklin N.R., Zhou C.W., Chapline M.G., Peng S., Cho K., and Dai H.J. Science 287 (2000) 622