Adsorption of CO and NO molecules on carbon doped boron nitride nanotubes

Solid State Communications

Volumn 142, Issue 1-2, 2007, Pages 49-53

  Baierle, R J ^a   Schmidt, T M ^b   Fazzio, A ^c  

^a FEDERAL UNIVERSITY OF SANTA MARIA   (Brazil)

^b FEDERAL UNIVERSITY OF UBERLÂNDIA   (Brazil)

^c UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

A. Boron nitride; A. Nanotubes; C. Point defects; D. Functionalization

Indexed keywords

ADSORPTION; BINDING ENERGY; BORON NITRIDE; CARBON; COBALT; NANOTUBES; NITROGEN OXIDES; POINT DEFECTS;

CARBON SUBSTITUTION; CHEMICAL ADSORPTION; FUNCTIONALIZATION CAPACITY; NANODEVICES;

MOLECULAR DYNAMICS;

EID: 33847633966     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2007.01.036     Document Type: Article

References (24)

1. Kong J., Franklin N., Zhou C., Chapline M., Peng S., Cho K., and Da H. Science 287 (2000) 622
2. Collins P.G., Bradley K., Ishigami M., and Zettl A. Science 287 (2000) 1801
3. Chopra S., Pham A., Gaillard J., Parker A., and Rao A.M. Appl. Phys. Lett. 80 (2002) 4632
4. Dillon A.C., Jones K.M., Bekkedahl T.A., Kiang C.H., Bethume D.S., and Heben M.J. Nature 386 (1997) 377
5. Liu C., Fan Y.Y., Liu M., Cong H.T., Cheng H.M., and Dresselhaus M.S. Science 286 (1999) 1127
6. Zandonella C. Nature 410 (2001) 734
7. Ma R., Bando Y., Zhu H., Sato T., Xu C., and Wu D. J. Am. Chem. Soc. 124 (2002) 7672
8. Lan A., and Mukasyan A. J. Phys. Chem. B 109 (2005) 16011
9. Oku T., Kuno M., and Narita I. J. Phys. Chem. Solids 65 (2004) 549
10. Tang C., Bando Y., Ding X., Qi S., and Golberg D. J. Am. Chem. Soc. 124 (2002) 14550
11. Baierle R.J., Piquini P., Schmidt T.M., and Fazzio A. J. Phys. Chem. B 110 (2006) 21184
12. Schmidt T.M., Baierle R.J., Piquini P., and Fazzio A. Phys. Rev. B 67 (2003) 113407
13. Piquini P., Baierle R.J., Schmidt T.M., and Fazzio A. Nanotecnology 16 (2005) 827
14. Ordejòn P., Artacho E., and Soler J.M. Phys. Rev. B 53 (1996) R10441
15. Sànchez-Portal D., Ordejòn P., Artacho E., and Soler J.M. Int. J. Quantum Chem. 65 (1997) 453
16. Sankey O.F., and Nikleswsky D.J. Phys. Rev. B 40 (1989) 3979
17. Troullier N., and Martins J.L. Phys. Rev. B 43 (1991) 1993
18. Kleinman L., and Bylander D.M. Phys. Rev. Lett. 48 (1982) 1425
19. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
20. Perdew J.P., and Zunger A. Phys. Rev. B 23 (1981) 5048
21. Tournus F., and Charlier J.-C. Phys. Rev. B 71 (2005) 165421
22. Peng S., and Cho K. Nano Lett. 3 (2003) 513
23. Santucci S., Picozzi S., Di Gregorio F., Lozzi L., Cantalini C., Valentini L., Kenny J.M., and Delley B. J. Chem. Phys. 119 (2003) 10904
24. Peng S., Cho K., Qi P., and Dai H. Chem. Phys. Lett. 387 (2004) 271