Theoretical investigation of OCN - adsorption onto boron nitride nanotubes

Applied Surface Science

Volumn 261, Issue , 2012, Pages 262-267

  Soltani, Alireza ^a   Ahmadian, Nasim ^b   Amirazami, Abolfazl ^a   Masoodi, Anis ^a   Lemeski, E Tazikeh ^a   Moradi, Ali Varasteh ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Ab initio calculations; Adsorption; Chemisorption; Nanostructures

Indexed keywords

ADSORPTION; BINDING ENERGY; CALCULATIONS; CHEMISORPTION; ELECTRONIC PROPERTIES; III-V SEMICONDUCTORS; NANOSTRUCTURES; NANOTUBES; QUANTUM CHEMISTRY; YARN;

AB INITIO CALCULATIONS; ADSORPTION PROPERTIES; BORON NITRIDE NANOTUBES; DENSITY FUNCTIONAL THEORY METHODS; EQUILIBRIUM DISTANCES; FIRST-PRINCIPLES CALCULATION; ORBITAL HYBRIDIZATION; THEORETICAL INVESTIGATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84867742801     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2012.07.158     Document Type: Article

References (57)

1. S. Ijima Nature 354 1991 56 58
2. A. Bianco, K. Kostarelos, and M. Prato Current Opinion in Chemical Biology 9 2005 674 679
3. A.B. Dalton, S. Collins, E. Munoz, J.M. Razal, V.H. Ebron, and J.P. Ferraris Nature 423 2003 703 705
4. L. Ding, A. Tselev, J.Y. Wang, D.N. Yuan, H.B. Chu, and T.P. McNicholas Nano Letters 9 2009 800 805
5. Y.S. Chen, J.H. Huang, and C.C. Chuang Carbon 47 2009 3106 3112
6. M. Castro, J.B. Lu, S. Bruzaud, B. Kumar, and J.F. Feller Carbon 47 2009 1930 1942
7. N.D. Hoa, N. Van Quy, and D. Kim Sensors and Actuators B 142 2009 253 259
8. S. Maghsoodi, Z. Gholami, H. Chourchian, Y. Mortazavi, and A.A. Khodadadi Sensors and Actuators B 141 2009 526 531
9. B. Napolion, and Q.L. Williams Chemical Physics Letters 490 2010 210 215
10. Y. Ma, Y. Xia, M. Zhao, R. Wang, and L. Mei Physical Review B 63 2001 115422 115427
11. A.I. Skoulidas, D.S. Sholl, and J.K. Johnson Journal of Chemical Physics 124 2006 054708
12. J.Z. Luo, L.Z. Gao, Y.L. Leung, and C.T. Au Catalysis Letters 66 2000 91
13. Q. Wang, H.A.A. Setlur, J.M. Lauerhaas, J.Y. Dai, E.W. Seelig, and R.P.H. Chang Applied Physics Letters 72 1998 2912 2913
14. M.D. Ganji Nanotechnology 19 2008 025709
15. R. Saito, G. Dresselhaus, and M.S. Dresselhaus Physical Properties of Carbon Nanotubes 1998 Imperial College Press London p. 16
16. C.T. White, and J.W. Mintmire Journal of Physical Chemistry B 109 2005 52 65
17. M. Zhang, Z.M. Su, L.K. Yan, Y.Q. Qiu, G.H. Chen, and R.S. Wang Chemical Physics Letters 408 2005 145 149
18. A. Rubio, J.L. Corkill, and M.L. Cohen Physical Review B 49 1994 5081 5084
19. Z. Bagheri, M.R. Abolhassani, and N.L. Hadipour Physical Review E 41 2008 124 129
20. M.T. Baei, A.R. Soltani, A.V. Moradi, and E.T. Lemeski Computational and Theoretical Chemistry 970 2011 30 35
21. S. Sharma, P. Rani, A.S. Verma, and V.K. Jindal Solid State Communications 152 2012 802 805
22. X.M. Li, W.Q. Tian, Q. Dong, X.R. Huang, C.C. Sun, and L. Jiang Computational and Theoretical Chemistry 964 2011 199 206
23. A.P. Suryavanshi, M. Yu, J. Wen, C. Tang, and Y. Bando Applied Physics Letters 84 2004 2527 2529
24. Y. Xiao, X.H. Yan, J.X. Cao, J.W. Ding, Y.L. Mao, and J. Xiang Physical Review B 69 2004 205415
25. C.W. Chang, W.Q. Han, and A. Zettl Applied Physics Letters 86 2005 173102
26. D. Golberg, Y. Bando, C. Tang, and C.Y. Zhi Advanced Materials 19 2007 2413 2432
27. M. Ishigami, J.D. Sau, S. Aloni, M.L. Cohen, and A. Zettl Physical Review Letters 97 2006 176804
28. D. Golberg, Y. Bando, L. Bourgeois, K. Kurashima, and T. Sato Applied Physics Letters 77 2000 1979
29. J. Song, Y. Huang, H. Jiang, K.C. Hwang, and M.F. Yu International Journal of Mechanical Sciences 48 2006 1197 1207
30. J.X. Zhao, and Y.H. Ding Nanotechnology 20 2009 085704
31. A.N. Enyashin, and A.L. Ivanovskii Nanotechnology 16 2005 1304 1310
32. Y.-H. Zhang, K.-G. Zhou, X.-C. Gou, K.-F. Xie, H.-L. Zhang, and Y. Peng Chemical Physics Letters 484 2010 266
33. S.P. Ju, Y.C. Wang, and T.W. Lien Nanoscale Research Letters 6 2011 160
34. R. Wang, R. Zhu, and D. Zhang Chemical Physics Letters 467 2008 131 135
35. R.G. Parr, and R.G. Pearson Journal of the American Chemical Society 105 1983 7512
36. A.L. Easta, and W.D. Allen Journal of Chemical Physics 99 1993 3865 3897
37. H. Celio, K. Mudalige, P. Mills, and M. Trenary Surface Science 394 1997 168 173
38. F. Solymosi, and J. Kiss Surface Science 104 1981 181 198
39. F. Solymosi, and J. Kiss Surface Science 108 1981 368 380
40. M.E. Kordesch, W. Stenzel, H. Conrad, and M.J. Weaver Journal of the American Chemical Society 109 1987 1878 1879
41. D.A. Oukta, S.W. Jorgensen, C.M. Friend, and R.J. Madix Journal of Molecular Catalysis 21 1983 375 387
42. K.L. Kostov, P. Jakob, H. Rauscher, and D. Menzel Journal of Physical Chemistry 95 1991 7785 7791
43. P. Jakob Chemical Physics Letters 263 1996 607 612
44. X. Guo, A. Winkler, I. Chorkendorff, P.L. Hagans, H.R. Siddiqui, and J.T. Yates Surface Science 203 1988 17 32
45. M.T. Baei, S. Zahra Sayyed-Alangi, A.R. Soltani, M. Bahari, and A. Masoodi Monatshefte fur Chemie 142 2011 1 4
46. K.D. Sen, and C.K. Jorgensen Electronegativity, Structure and Bonding 1987 Springer-Verlag New York
47. R.G. Pearson Chemical Hardness Applications from Molecules to Solids 1997 Wiley VCH Verlag GMBH Weinheim, Germany
48. R.G. Pearson, L. Szentpaly, and S. Liu Journal of the American Chemical Society 121 1999 1922 1924
49. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheese-man, V.G. Zakrzewski, Montgomery Jr. J.A., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head- Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Gaussian Inc., Pittsburgh, PA, 1998.
50. A.D. Becke Journal of Chemical Physics 98 1993 5648
51. C. Lee, W. Yang, and R.G. Parr Physical Review B 37 1988 785 789
52. V. Barone, A. Koller, and G. Scuseria Journal of Physical Chemistry A 110 2006 10844 10847
53. A. Soltani, N. Ahmadian, Y. Kanani, A. Dehnokhalaji, and H. Mighani Applied Surface Science 258 2012 9536 9543
54. P.K. Chattaraj, and A. Poddar Journal of Physical Chemistry A 103 1999 8691 8699
55. R.G. Parr, and W. Yang Density Functional Theory of Atoms and Molecules 1989 Oxford University Press NewYork
56. M.T. Baei Monatshefte fur Chemie 2011 10.1007/s00706-011-0680-6
57. J.M. Hu, Y. Li, J.Q. Li, Y.F. Zhang, W. Lin, and G.X. Jia Journal of Solid State Chemistry 177 2004 2763 2771