Adsorption of oxygen molecular on pristine and defected SiC nanotubes

Applied Surface Science

Volumn 257, Issue 1, 2010, Pages 282-289

  Liang, Rui Li ^a   Zhang, Yan ^b   Zhang, Jian Min ^a  

^a SHAANXI NORMAL UNIVERSITY   (China)

^b UNIVERSITÉ PARIS SUD   (France)

Author keywords

Adsorption; Density functional theory; Oxygen molecular; SiCNT

Indexed keywords

ADSORPTION; BINDING ENERGY; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; GAS ADSORPTION; MOLECULAR OXYGEN; MOLECULES; PHYSISORPTION; SILICON CARBIDE; WIDE BAND GAP SEMICONDUCTORS; YARN;

CHEMICAL INTERACTIONS; EXTERIOR SURFACES; GENERALIZED GRADIENT APPROXIMATIONS; MOLECULE ADSORPTIONS; OXYGEN INTERSTITIALS; PROJECTOR AUGMENTED WAVES; SICNT; STRUCTURAL AND ELECTRONIC PROPERTIES;

SILICON COMPOUNDS;

EID: 77955512393     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2010.06.087     Document Type: Article

References (39)

1. G.L. Harris G.L. Harris, Properties of Silicon Carbide 1995 Institution of Electrical Engineers London
2. S. Iijima Nature (London) 354 1991 56
3. X.H. Sun, C.P. Li, W.K. Wong, N.B. Wong, C.S. Lee, S.T. Lee, and B.T. Teo J. Am. Chem. Soc. 124 2002 14464
4. A. Mavrandonakis, G.E. Froudakis, A. Andriotis, and M. Menon Appl. Phys. Lett. 89 2006 123126
5. Y. Miyamoto, and B.D. Yu Appl. Phys. Lett. 80 2002 586
6. A. Mavrandonakis, G.E. Froudakis, M. Schnell, and M. Mühlhäuser Nano Lett. 3 2003 1481
7. M. Menon, E. Richter, A. Mavrandonakis, G. Froudakis, and A.N. Andriotis Phys. Rev. B 69 2004 115322
8. B. Baumeier, P. Kruger, and J. Pollmann Phys. Rev. B 76 2007 085407
9. G. Mpourmpakis, G. Froudakis, G. Lithoxoos, and J. Samios Nano Lett. 6 2006 1581
10. A. Gali Phys. Rev. B 73 2006 245415
11. H. Shen J. Mater. Sci. 42 2007 6382
12. S.P. Huang, D.S. Wu, J.M. Hu, H. Zhang, Z. Xie, H. Hu, and W.D. Chen Opt. Express 15 2007 10947
13. R.A. He, Z.Y. Chu, X.D. Li, and Y.M. Si Key Eng. Mater. 368-372 2008 647
14. I.J. Wu, and G.Y. Guo Phys. Rev. B 76 2007 035343
15. I.J. Wu, and G.Y. Guo Phys. Rev. B 78 2008 035447
16. M.W. Zhao, Y.Y. Xia, F. Li, R.Q. Zhang, and S.T. Lee Phys. Rev. B 71 2005 085312
17. M.W. Zhao, Y.Y. Xia, R.Q. Zhang, and S.T. Lee J. Chem. Phys. 122 2005 214707
18. A. Gali Phys. Rev. B 75 2007 085416
19. J.X. Zhao, and Y.H. Ding J. Phys. Chem. C 112 2008 2558
20. F. Li, Y.Y. Xia, M.W. Zhao, X.D. Liu, B.D. Huang, Z.H. Yang, Y.J. Ji, and C. Song J. Appl. Phys. 97 2005 104311
21. T. Meng, C.Y. Wang, and S.Y. Wang Chem. Phys. Lett. 437 2007 224
22. T. He, M. Zhao, Y. Xia, W. Li, C. Song, X. Lin, X. Liu, and L. Mei J. Chem. Phys. 125 2006 194710
23. R.J. Baierle, and R.H. Miwa Phys. Rev. B 76 2007 205410
24. Á. Szabó, and A. Gali Phys. Rev. B 80 2009 075425
25. H.J. Liu, C.T. Chan, Z.Y. Liu, and J. Shi Phys. Rev. B 72 2005 075437
26. A.A. Rafati, S.M. Hashemianzadeh, and Z.B. Nojini J. Colloid Interface Sci. 336 2009 1
27. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
28. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
29. G. Kresse, and J. Hafner Phys. Rev. B 49 1994 14251
30. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15
31. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
32. J. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
33. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
34. E.M. Lifshitz Zh. Eksp. Teor. Fiz. 29 1956 94 [Sov. Phys. JETP 2 (1956) 73]
35. J.N. Israelachvili Intermolecular and Surface Forces 1985 Academic London
36. S. Ciraci, E. Tekman, A. Baratoff, and I.P. Batra Phys. Rev. B 46 1992 10411
37. A. Gali, P. Deák, N.T. Son, and E. Janzén Appl. Phys. Lett. 83 2003 1385
38. R. Rurali, P. Godignon, J. Rebollo, E. Hernández, and P. Ordejón Appl. Phys. Lett. 82 2003 4298
39. M. Bockstedte, A. Mattausch, and O. Pankaratov Appl. Phys. Lett. 85 2004 58