Theoretical understanding of adlayer structure, thermal stability and electronic property of graphene molecules

Surface Science

Volumn 604, Issue 23-24, 2010, Pages 2091-2097

  Zhao, Hai Jing ^a   Yao, Man ^a   Chen, Qing ^b   Wang, Dong ^b   Wan, Li Jun ^b  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^b INSTITUTE OF CHEMISTRY   (China)

Author keywords

Energy gap; First principle; FTBC Cn (n = 4, 6, 8, 12) and graphene supramolecule assembly; Molecular dynamics simulation; STM image simulation

Indexed keywords

ADLAYER STRUCTURES; ALKYL CHAIN; CARBON ATOMS; CN MOLECULE; COMPASS FORCE FIELD; CORONENE; FIRST PRINCIPLE METHOD; FIRST-PRINCIPLES; FTBC-CN (N = 4, 6, 8, 12) AND GRAPHENE SUPRAMOLECULE ASSEMBLY; GRAPHENE SHEETS; HIGHLY ORIENTED PYROLYTIC GRAPHITE; INTERMOLECULAR INTERACTIONS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; ROOM TEMPERATURE; SELF-ASSEMBLING; SIMULATION RESULT; SINGLE MOLECULE; STM IMAGES; SUPRAMOLECULES; THERMAL STABILITY;

ALKYLATION; COMPUTATIONAL GEOMETRY; DENSITY FUNCTIONAL THEORY; DIAMOND FILMS; ELECTRONIC PROPERTIES; ENERGY GAP; GRAPHENE; MOLECULAR MECHANICS; MOLECULES; ORGANIC POLYMERS; SELF ASSEMBLY; SOLIDS; THERMODYNAMIC STABILITY;

MOLECULAR DYNAMICS;

EID: 78049335395     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2010.08.024     Document Type: Article

References (27)

1. Tim O. Wehling, Alexander I. Lichtenstein, and Mikhail I. Katsnelson Appl. Phys. Lett. 93 2008 202110 10.1063/1.3021413
2. K.S. Novoselov, A.K. Geim, and S.V. Morozov Science 306 2004 666
3. K.S. Novoselov, A.K. Geim, and S.V. Morozov Nature 438 2005 197
4. Y.B. Zhang, Y.W. Tan, and H.L. Stormer Nature 438 2005 201
5. L. Brey, and H.A. Ferting Phys. Rev. B 73 2006 235411
6. Y.W. Son, M.L. Cohen, and S.G. Louie Nature 444 2006 347
7. Mazdak Taghioskoui Mater. Today 12 2009 34
8. O. Leenaerts, B. Partoens, and F.M. Peetersc Appl. Phys. Let. 93 2008 193107
9. J.Y. Dai, J.M. Yuan, and P. Giannozzi Appl. Phys. Lett. 95 2009 232105
10. A.H. Castro Neto, F. Guinea, N.M.R. Peres, K.S. Novoselov, and A.K. Geim Rev. Mod. Phys. 81 2009 109
11. R. Danneau, F. Wu, M.F. Craciun, S. Russo, M.Y. Tomi, J. Salmilehto, A.F. Morpurgo, and P.J. Hakonen Phys. Rev. Lett. 100 2008 196802
12. Q. Chen, T. Chen, G.B. Pan, H.J. Yan, W.G. Song, L.J. Wan, Z.T. Li, Z.H. Wang, B. Shang, L.F. Yuan, and J.L. Yang PNAS. 105 2008 16849
13. M.D. Watson, A. Fechtenkötter, and K. Müllen Chem. Rev. 101 2001 1267
14. M. Bendikov, F. Wudl, and D.F. Perepichka Chem. Rev. 104 2004 4891
15. H.M. Duong, M. Bendikov, D. Steiger, Q. Zhang, G. Sonmez, J. Yamada, and F. Wudl Org. Lett. 5 2003 4433
16. S. Xiao, M. Myers, Q. Miao, S. Sanaur, K. Pang, M.L. Steigerwald, and C. Nuckolls Angew. Chem. Int. Ed. 44 2005 73
17. Z.T. Li, N.T. Lucas, Z.H. Wang, and D.B.J. Zhu Org. Chem. 72 2007 3917
18. Materials Studio 2.2, COMPASS 1.0/Accelrys. San Diego, CA, US, 2002.
19. H.J. Sun Phys. Chem. B 102 1998 7338
20. A. Bostwick, J. McChesney, T. Ohta, E. Rotenberg, T. Seyller, and K. Horn Prog. Surf. Sci. 84 2009 380
21. A.H. Castro Neto, F. Guinea, N.M.R. Peres, K.S. Novoselov, and A.K. Geim Rev. Mod. Phys. 81 2009 109
22. Q.X. Li, J.L. Yang, and J.G. Hou Acta Phy. Sin. 48 1998 1477
23. E.J. Baerends, D.E. Ellis, and P. Ros Chem. Phys. 2 1973 41
24. D.E. Ellis, and G.S. Painter Phys. Rev. B 2 1970 2887
25. J.L. Yang, F. Toigo, and K.L. Wang Phys. Rev. B 50 1994 7915
26. H. Xu, and S.S. Ma J. Cent. S. Univ. 35 2004 363
27. D.X. Shi, W. Ji, and X. Lin Phys. Rev. Lett. 96 2006 226101