Structural and electronic properties of pyrrolidine-functionalized [60]fullerenes

Journal of Physics and Chemistry of Solids

Volumn 74, Issue 11, 2013, Pages 1594-1598

  Peyghan, Ali Ahmadi ^a   Soleymanabadi, Hamed ^a   Moradi, Morteza ^b  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b MATERIALS AND ENERGY RESEARCH CENTER   (Iran)

Author keywords

A. Nanostructures; A. Surfaces; C. Ab initio calculations; D. Electronic structure

Indexed keywords

AB INITIO CALCULATIONS; DENSITY FUNCTIONAL THEORY METHODS; FIELD EMISSION PROPERTY; FULLEROPYRROLIDINES; FUNCTIONALIZATIONS; N-TYPE SEMICONDUCTORS; SOLUBILITY IN WATERS; STRUCTURAL AND ELECTRONIC PROPERTIES;

ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; NITROGEN OXIDES; WORK FUNCTION;

FULLERENES;

EID: 84881056999     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2013.05.030     Document Type: Article

References (42)

1. F. Yan, Y. Wang, and J.S. Liu J. Phys. Chem. Solids 61 2000 999 1002
2. J. Sallgren, H. Wang, S.L. Leonard, and Y.H. Hu J. Phys. Chem. Solids 73 2012 1071 1074
3. J. Beheshtian, A.A. Peyghan, and Z. Bagheri Comput. Theor. Chem. 992 2012 164 167
4. J. Beheshtian, A.A. Peyghan, and Z. Bagheri J. Mol. Model. 19 2013 833 837
5. A.F. Hebard, M.J. Rosseinsky, R.C. Haddon, D.W. Murphy, S.H. Glarum, T.T.M. Palstra, A.P. Ramirez, and A.R. Kortan Nature 350 1991 600 601
6. G.L. Marcorin, T. Da Ros, S. Castellano, G. Stefancich, I. Bonin, S. Miertus, and M. Prato Org. Lett. 2 2000 3955 3958
7. S. Peng, X.J. Li, D.X. Zhang, and Y. Zhang Struct. Chem. 20 2009 789 794
8. I. Zaragoza, J. Vergara, L. Pérez-Manríquez, and R. Salcedo J. Mol. Model. 17 2011 1035 1040
9. H. Prinzbach, A. Weiler, and P. Landenberger Nature 407 2000 60 63
10. J. Beheshtian, A.A. Peyghan, and Z. Bagheri Appl. Surf. Sci. 258 2012 8980 8984
11. G. Torres-García, and J. Mattay Tetrahedron 52 1996 5421 5426
12. P.R. Birkett, P.B. Hitchcock, H.W. Kroto, R. Taylor, and D.R.M. Walton Nature 357 1992 479 481
13. P.J. Krusic, E. Wasserman, P.N. Keizer, J.R. Morton, and K.F. Preston Science 254 1991 1183 1185
14. S. Kotha, and A.K. Ghosh Tetrahedron Lett. 45 2004 2931 2934
15. H. Yang, X.J. Ruan, C. Miao, H. Xi, Y. Jiang, Q. Meng, and X. Sun Tetrahedron Lett. 50 2009 7337 7339
16. Y. Matsuo, and E. Nakamura Inorg. Chim. Acta 359 2006 1979 1982
17. A. Duarte-Ruiz, Th. Müller, K. Wurst, and B. Kräutler Tetrahedron 57 2001 3709 3714
18. L. Balch, and M.M. Olmstead Chem. Rev. 98 1998 2123 2166
19. C. Thilgen, and F. Diederich Chem. Rev. 106 2006 5049 5135
20. G. Vasapollo, G. Mele, L. Longo, R. Ianne, G. Gowenlock, and K. Orrell Tetrahedron Lett. 43 2002 4969 4972
21. Z. Chen, L. Ma, Y. Liu, and C. Chen Theranostics 2 2012 238 250
22. M. Schmidt J. Comput. Chem. 14 1993 1347 1363
23. T.C. Dinadayalane, J. Murray, M.C. Concha, P. Politzer, and J. Leszczynski J. Chem. Theory Comput. 6 2010 1351 1357
24. R. Wanbayor, and V. Ruangpornvisuti Appl. Surf. Sci. 258 2012 3298 3301
25. J. Beheshtian, A.A. Peyghan, and Z. Bagheri Appl. Surf. Sci. 259 2012 631 636
26. N.D. Yilmazer, M.F. Fellah, and I. Onal Appl. Surf. Sci. 256 2010 5088 5093
27. K.M. Eid, and H.Y. Ammr Appl. Surf. Sci. 257 2011 6049 6058
28. N.M. O'Boyle, A.L. Tenderholt, and K.M. Langner J. Comput. Chem. 29 2008 839 845
29. T. Koopmans Physica 1 1993 104 113
30. K. Hedberg, L. Hedberg, D.S. Bethune, C.A. Brown, H.C. Dorn, R.D. Johnson, and M. Devries Science 254 1992 410 412
31. B. Krautler, and M. Puchberger Helv. Chim. Acta 76 1993 1626 1631
32. A.F. Shestakov Russ. J. Gen. Chem. 78 2008 811 821
33. S. Li Semiconductor Physical Electronics second ed. 2006 Springer USA
34. K. Asaka, T. Nakayama, K. Miyazawa, and Y. Saito Carbon 50 2012 1209 1215
35. J. Andzelm, and C. Kolmel J. Chem. Phys. 103 1995 9312 9320
36. J.B. Foresman, and A.E. Frisch Exploring Chemistry With Electronic Structure Methods second ed. 1996 Gaussian Inc. Pittsburgh, PA
37. E. Lewars Computational Chemistry-Introduction to the Theory and Applications of Molecular and Quantum Mechanics 2003 Kluwer Academic Norwell, MA
38. D.Sh. Sabirov, and R.G. Bulgakov Chem. Phys. Lett. 506 2011 52 56
39. M. Bühl, and A. Hirsch Chem. Rev. 101 2001 1153 4483
40. R.G. Parr, L. Szentpaly, and S. Liu J. Am. Chem. Soc. 121 1999 1922 1924
41. R. Antoine, P. Dugourd, D. Rayane, E. Benichou, M. Broyer, F. Chandezon, and C. Guet J. Chem. Phys. 110 1999 9771 9772
42. D.Sh. Sabirov, A.A. Tukhbatullina, and R.G. Bulgakov Comput. Theor. Chem. 993 2012 113 117