Theoretical study on singlet oxygen adsorption onto surface of graphene-like aromatic hydrocarbon molecules

Polyhedron

Volumn 30, Issue 18, 2011, Pages 3249-3255

  Kinoshita, Keiji ^a   Saito, Toru ^a   Ito, Akira ^a   Kawakami, Takashi ^a   Kitagawa, Yasutaka ^a   Yamanaka, Shusuke ^a   Yamaguchi, Kizashi ^a   Okumura, Mitsutaka ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Ab initio MO calculation; Adsorption; Density functional theory; Graphene; Oxygen molecule

Indexed keywords

EID: 82255163017     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2011.04.036     Document Type: Conference Paper

References (25)

1. K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, and A.A. Firsov Science 306 2004 666
2. K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, M.I. Katsnelson, I.V. Grigorieva, S.V. Dubonos, and A.A. Firsov Nature 438 2005 197
3. Y. Zhang, Y.-W. Tan, H.L. Stormer, and Philip Kim Nature 438 2005 201
4. Y. Zheng, and T. Ando Phys. Rev. B 65 2002 245420
5. C.L. Kane, and E.J. Mele Phys. Rev. Lett. 95 2005 226801
6. T. Ohta, A. Bostwich, T. Seyller, K. Horn, and E. Rotenberg Science 313 2006 951
7. Y. Zhang, Z. Jiang, J.P. Small, M.S. Purewal, Y.-W. Tan, M. Fazlollahi, J.D. Chudow, J.A. Jaszczak, H.L. Stormer, and P. Kim Phys. Rev. Lett. 96 2006 136806
8. K.S. Novoselov, Z. Jiang, Y. Zhang, S.V. Morozov, H.L. Stormer, U. Zeitler, J.C. Maan, G.S. Boebinger, P. Kim, and A.K. Geim Science 315 2007 1379
9. J.C. Meyer, A.K. Geim, M.I. Katsnelson, K.S. Novoselov, T.J. Booth, and S. Roth Nature 446 2007 60
10. P.G. Silvestrov, and K.B. Efetov Phys. Rev. Lett. 98 2007 0106802
11. M.Y. Han, B. Özyilmas, Y. Zhang, and P. Kim Phys. Rev. Lett. 98 2007 206805
12. X. Wang, Y. Quyang, X. Li, H. Wang, J. Cuo, and H. Dai Phys. Rev. Lett. 100 2008 206803
13. A. Lherbier, B. Beil, Y.-M. Niquet, and S. Roche Phys. Rev. Lett. 100 2008 036803
14. T.O. Wehling, K.S. Novoselov, S.V. Morozov, E.E. Vdovin, M.I. Katsnelson, A.K. Geim, and A.I. Lichtenstein Nano Lett. 8 2008 173
15. G.U. Sumanasekera, G. Chen, K. Takai, J. Joly, N. Kobayashi, T. Enoki, and P.C. Eklund J. Phys. Condens., Matter. 22 2010 334208
16. V.Yu. Osipov, A.I. Shames, T. Enoki, K. Takai, M. Endo, Y. Kaburagi, and A.Ya. Vul' Diamond Relat. Mater. 19 2010 492
17. V.L. Joseph Joly, K. Takai, and T. Enoki J. Phys. Chem. Solids 71 2010 575
18. K.M. Hock, J.C. Barnard, R.E. Palmer, and H. Ishida Phys. Rev. Lett. 71 1993 641
19. C. Janiak, R. Hoffmann, P. Sjövall, and B. Kasemo Langmuir 9 1993 3427
20. Dan C. Sorescu, and Kenneth D. Jordan J. Phys. Chem. 105 2001 11227
21. In private communications.
22. T. Saito, S. Nishihara, Y. Kataoka, Y. Nakanishi, T. Matsui, Y. Kitagawa, T. Kawakami, M. Okumura, and K. Yamaguchi Chem. Phys. Lett. 483 2009 168
23. T. Saito, S. Nishihara, Y. Kataoka, Y. Nakanishi, Y. Kitagawa, T. Kawakami, S. Yamanaka, M. Okumura, and K. Yamaguchi J. Phys. Chem. A 114 2010 7967
24. M.J. Frisch, et al., gaussian, Inc., Wallingford CT, 2004.
25. K. Yamaguchi, Y. Takahara, and T. Fueno V.H. Smith, H.F. Schaefer III K. Morokuma, Applied Quantum Chemistry 1986 D. Reidel Boston, MA 155