On the coverage-dependent orientation of benzene adsorbed on Cu(1 0 0): A density functional theory study

Chemical Physics Letters

Volumn 407, Issue 4-6, 2005, Pages 414-418

  Chen, Wen Kai ^a   Cao, Mei Juan ^a   Liu, Shu Hong ^a   Xu, Ying ^a   Li, Jun Qian ^a,b  

^a FUZHOU UNIVERSITY   (China)

^b FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHEMISORPTION; COPPER; HYDROGEN BONDS; MOLECULAR ORIENTATION; POLARIZATION; PROBABILITY DENSITY FUNCTION; SUBSTRATES; SURFACE PHENOMENA; TRANSITION METALS;

ADSORPTION ENERGY; LOCAL DENSITY FUNCTIONAL APPROXIMATION (LDFA); METAL SURFACE; MULLIKEN ANALYSIS;

BENZENE;

EID: 18244387681     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.03.110     Document Type: Article

References (23)

1. A.F. Lee, K. Wilson, and R.M. Lambert J. Phys. Chem. B 104 2000 11729
2. R.l. Julian, J.B. Christopher, and S.I. Mintcho Chem. Phys. Lett. 263 1996 591
3. C. Stellway, G. Hels, and D. Menzel Surf. Sci. Lett. 325 1995 L375
4. J.-H. Kang, R.L. Toomes, and J. Roobinson Surf. Sci. 448 2000 23
5. P. Zebish, M. Stichler, and P. Trischberger Surf. Sci. 396 1998 61
6. J.I. Pascual, J.J. Jackin, and I. Song Surf. Sci. 502-503 2002 1
7. P.K. Milligan, B. Murphy, and D. Lennon J. Phys. Chem. B 105 2001 140
8. W. Hber, M. Weinelt, and P. Zebisch Surf. Sci. 253 1991 72
9. L.J. Wan, W. Chen, and C.L. Bai J. Phys. Chem. B 105 2001 8399
10. N. Lorente, M.F.G. Heaouin, and R.E. Palmer Phys. Rev. B 68 2003 15540
11. B. Delley J. Chem. Phys. 92 1990 508
12. B. Delley J. Chem. Phys. 113 2000 7756
13. S.H. Vosko, and L.M. Nusair Can. J. Phys. 58 1980 1200
14. S. Narasimhan, and S. de Gironcoli Phys. Rev. B 65 2002 64302
15. B.L. Rogers, J.G. Shapter, and M.J. Ford Surf. Sci. 548 2004 29
16. K. Doll, and M.N. Harrison Chem. Phys. Lett. 317 2000 282
17. A. Kiejna, J. Deisert, and P. Schnroch Surf. Sci. 432 1999 54
18. J.C. Boettger, U. Birkenheuer, and S. Kruger Phys, Rev. B 52 1995 2025
19. F. Mittendorfer, and J. Hafner Surf. Sci. 472 2001 133
20. N. Birkenheuer, J.C. Boettger, and N. Rosch J. Chem. Phys. 100 1994 6826
21. D.R. Lide CRC Handbook of Chemistry and Physics 79th edn. 1998 CRC Press Boca Raton
22. M. Xi, M.X. Yang, S. Jo, and B.E. Bent J. Chem. Phys. 101 1994 9122
23. Y. Wu Catalytic Chemistry first edn. 1995 Science Press Beijing (in Chinese)