First-principles investigation of the interaction between BN, SiC and ZnO nanotubes - BaTiO3

Superlattices and Microstructures

Volumn 63, Issue , 2013, Pages 298-305

  Chigo Anota, E ^a   Hernandez Cocoletzi H ^a   Salazar Villanueva, M ^a   Garcia Toral D ^a  

^a BENEMÉRITA UNIVERSIDAD AUTÓNOMA DE PUEBLA   (Mexico)

Author keywords

Barium titanate; Boron nitride nanotube; DFT theory; Silicon carbide nanotube; Solvatation; Zinc oxide nanotube

Indexed keywords

BORON NITRIDE NANOTUBES; DFT THEORY; OXIDE NANOTUBES; SILICON CARBIDE NANOTUBES; SOLVATATION;

BARIUM TITANATE; BORON NITRIDE; CALCULATIONS; SILICON CARBIDE; ZINC OXIDE;

NANOTUBES;

EID: 84885151095     PISSN: 07496036     EISSN: 10963677     Source Type: Journal    
DOI: 10.1016/j.spmi.2013.09.011     Document Type: Article

References (49)

1. A. Rubio, J.L. Corkill, and M. Cohen Phys. Rev. B 49 1994 5081 5084
2. N.G. Chopra, R.J. Luyken, K. Cherrey, V.H. Crespi, M.L. Cohen, S.G. Louie, and A. Zetl Science 269 1995 996-967
3. C. Huei Lee, D. Zhang, and Y. Khin Yap J. Phys. Chem. C 116 2012 1798 1804
4. V. Raffa, C. Riggio, M.W. Smith, K.C. Jordan, W. Cao, and A. Cuschieri Technol. Cancer Res. Treat. 11 2012 459 527
5. J. Wu, and L. Yin ACS Appl. Mater. Interfaces 3 2011 4354 4362
6. Zh. Gao, Ch. Zhi, Y. Bando, D. Golberg, and T. Serizawa ACS Appl. Mater. Interfaces 3 2011 627 632
7. C.Y. Zhi, Y. Bando, C.C. Tang, S. Honda, K. Sato, H. Kuwahara, and D. Golberg Angew. Chem. Int. Ed. 44 2005 7929 7932
8. S.Y. Xie, W. Wang, K.A.S. Fernando, X. Wang, Y. Lin, and Y.P. Sun Chem. Commun. 29 2005 3670 3672
9. A. Rodríguez Juárez, E. Chigo Anota, H. Hernández Cocoletzi, and A. Flores Riveros Appl. Surf. Sci. 268 1 2013 259 264
10. E. Chigo Anota, A. Escobedo Morales, M. Salazar Villanueva, O. Vazquez Cuchillo, and E. Rubio Rosas J. Mol. Model. 19 2 2013 839 846
11. E. Chigo Anota, L.D. Hernández Rodríguez, G. Hernández Cocoletzi, Graphene 2013, (accepted for publication).
12. E. Chigo Anota, A. Rodríguez Juárez, M. Castro, and H. Hernández Cocoletzi J. Mol. Model. 19 1 2013 321 328
13. J.X. Zhao, and Y.H. Ding Nanotechnol. 20 2009 085704 1
14. X.H. Sun, C.P. Li, W.K. Wong, N.B. Wong, C.S. Lee, S.T. Lee, and B.K.J. Teo Am. Chem. Soc. 124 2002 14464 14471
15. J.Q. Hu, Q. Li, X.M. Meng, C.S. Lee, and S.T. Lee Chem. Mater. 15 2003 305 308
16. Y.J. Xing, Z.H. Xi, Z.Q. Xue, X.D. Zhang, J.H. Song, R.M. Wang, J. Xu, Y. Song, S.L. Zhang, and D.P. Yu Appl. Phys. Lett. 83 2003 1689 1691
17. Y.J. Xing, Z.H. Xi, X.D. Zhang, J.H. Song, R.M. Wang, J. Xu, Z.Q. Xue, and D.P. Yu Solid State Commun. 129 2004 671 675
18. R.M. Wang, Y.J. Xing, J. Xu, and D.P. Yu New J. Phys. 5 2003 115 1
19. Y. Sun, G.M. Fuge, N.A. Fox, D.J. Riley, and M.N.R. Ashfold Adv. Mater. (Weinheim Ger) 17 2005 2477 2481
20. X.Y. Kong, Y. Ding, and Z.L.J. Wang Phys. Chem. B 108 2004 570 574
21. G.S. Wu, T. Xie, X.Y. Yuan, Y. Li, L. Yang, Y.H. Xiao, and L.D. Zhang Solid State Commun. 134 2005 485 489
22. J.F. Yan, Y.M. Lu, H.W. Liang, Y.C. Liu, B.H. Li, X.W. Fan, and J.M.J. Zhou Cryst. Growth 280 2005 206 211
23. X.H. Zhang, S.Y. Xie, Z.Y. Jiang, X. Zhangn, Z.Q. Tian, Z.X. Xie, R.B. Huang, and L.S.J. Zheng Phys. Chem. B 107 2003 10114 10118
24. J.J. Wu, S.C. Liu, C.T. Wu, K.H. Chen, and L.C. Chen Appl. Phys. Lett. 81 2002 1312 1314
25. J. Zhang, L. Sun, C. Liao, and C. Yan Chem. Commun. (Cambridge) 2002 262 263
26. C.Z. Tu, and X. Hu Phys. Rev. B 74 2006 035434 1
27. M. Salazar Villanueva, A. Bautista Hernández, E. Chigo Anota, J.I. Rodríguez Mora, J.A. Ascencio, and A. Macías Cervantes Mol. Simul. 39 7 2013 545 549
28. E. Chigo Anota, and G. Hernández Cocoletzi J. Mol. Model. 19 2013 2335 2341
29. E. Chigo Anota, H. Hernández Cocoletzi, Appl. Nanosci. (submitted for publication).
30. B. Baumeier, P. Krüger, and J. Pollmann Phys. Rev. B 76 2007 085497 1-10
31. H.J. Xiang, J. Yang, J.G. Hou, and Q. Zhu Phys. Rev. B 68 2003 035427 1-5
32. D. Golberg, and Y. Bando Appl. Phys. Lett. 79 2001 415 417
33. E. Chigo Anota, M. Salazar Villanueva, and H.J. Hernández Cocoletzi Nanosci. Nanotechnol. 11 6 2011 5515 5518
34. E. Chigo Anota, M. Salazar Villanueva, and H. Hernández Cocoletzi Phys. Stat. Solidi (c) 7 7-8 2010 2252 2254
35. E. Chigo Anota, M. Salazar Villanueva, and H. Hernández Cocoletzi Phys. Stat. Solidi (c) 7 10 2010 2559 2561
36. E. Chigo Anota, H. Hernández Cocoletzi, and E. Rubio Rosas Eur. Phys. J.D 63 2011 271 273
37. E. Chigo Anota, R.E. Ramírez Gutierrez, A. Escobedo Morales, and G. Hernández Cocoletzi J. Mol. Model. 18 5 2012 2175 2184
38. J.M. Galícia Hernández, G. Hernández Cocoletzi, and E. Chigo Anota J. Mol. Model. 18 1 2012 137 144
39. A.D. Boese, and N.C.J. Handy Chem. Phys. 114 2001 5497 5503
40. B.J. Delley Chem. Phys. 92 1990 508 517
41. B.J. Delley Chem. Phys. 113 2000 7756 7765
42. A. Klamt, and G. Schüürmann J. Chem. Soc., Perkin Trans. 2 1993 799 805
43. B. Delley Mol. Simul. 32 2006 117 123
44. J. Tomasi, and M. Persico Chem. Rev. 94 1994 2027 2094
45. E. Chigo Anota, and G. Hernández Cocoletzi J. Mol. Graph. Model. 42 2013 115 119
46. E. Chigo Anota, R.E. Ramírez Gutiérrez, F.L. Pérez Sanchéz, and J.F. Sanchéz Ramírez Graphene 1 1 2013 32 36
47. J.B. Foresman, and Æ Frisch Exploring Chemistry with Electronic Structure Methods second ed. 1996 Gaussian, USA p. 70
48. E. Chigo Anota, G. Hernández Cocoletzi, Centr. Eur. J. Chem. 2013, (accepted for publication).
49. A.D. Boese, and N.C. Handy J. Chem. Phys. 114 2001 5497 5503