Trends in adsorption of open-shell atoms and small molecular fragments on the Ag(1 1 1) surface

Surface Science

Volumn 600, Issue 23, 2006, Pages 5104-5113

  Kokh, Daria B ^a   Buenker, Robert J ^a   Whitten, Jerry L ^b  

^a UNIVERSITY OF WUPPERTAL   (Germany)

^b NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

Ab initio calculations; Adsorption; Carbon; Chlorine; Nitrogen; Oxygen; Silver

Indexed keywords

ADSORPTION; ATOMS; CHEMISORPTION; ELECTRONS; MOLECULAR DYNAMICS;

COVALENT BONDING; ELECTRONIC CHARGE DENSITY; MOLECULAR ORBITALS (MO); VALENCE ELECTRONS;

SURFACE STRUCTURE;

EID: 33751397620     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2006.08.032     Document Type: Article

References (42)

1. Michaelides A., Reuter K., and Scheffler M. J. Vac. Sci. Technol. A 23 (2005) 1487
2. Li W.-X., Stampfl C., and Scheffler M. Phys. Rev. B 67 (2003) 045408
3. Li W.-X., Stampfl C., and Scheffler M. Phys. Rev. B 65 (2002) 075407
4. Bao X., Muhler M., Schedel-Niedrig Th., and Schlögl R. Phys. Rev. B 54 (1996) 2249
5. Goddard P.J., and Lambert R.M. Surf. Sci. 67 (1977) 180
6. Tu Y.-Y., and Blakely J.M. Surf. Sci. 85 (1979) 276
7. Lamble G.M., Brooks R.S., Ferrer S., King D.A., and Norman D. Phys. Rev. B 34 (1986) 2975
8. Shard A.G., and Dhanak V.R. J. Phys. Chem. B 104 (2000) 2743
9. Bowker M., and Waugh K.C. Surf. Sci. 134 (1983) 639
10. Zhao Sh., Li Zh.-H., Wangs W.-N., and Fan K.-N. J. Chem. Phys. 112 (2005) 144701
11. Doll K., and Harrison N.M. Phys. Rev. B 63 (2001) 165410
12. de Leeuw N.H., Nelson C.J., Catlow C.R.A., Sautet P., and Dong W. Phys. Rev. B 69 (2004) 045419
13. Carter R.N., Murphy M.J., and Hodgson A. Surf. Sci. 387 (1997) 102
14. So S.K., Frandy R., and Ho W. J. Chem. Phys. 91 (1989) 5701
15. Ricart J.M., Torras J., Rubio J., and Illas F. Surf. Sci. 374 (1997) 31
16. Fleck L.E., Howe P.-T., Kim J.-S., and Dai H.-L. J. Phys. Chem. 100 (1996) 8011
17. Kokh D.B., Buenker R.J., Liebermann H.-P., Pichl L., and Whitten J.L. J. Phys. Chem. B 109 (2005) 18070
18. Schwaner A.L., Pylant E.D., and White J.M. J. Vac. Sci. Technol. A 14 (1996) 1453
19. Carter E.A., and Goddard III W.A. Surf. Sci. 209 (1989) 243
20. Gao Sh., Hahn J.R., and Ho W. J. Chem. Phys. 119 (2003) 6232
21. Ford D.C., Xu Y., and Mavrikakis M. Surf. Sci. 587 (2005) 159
22. Siegbahn E.M., and Panas I. Surf. Sci. 240 (1990) 37
23. Whitten J.L., and Pakkanen T.A. Phys. Rev. B 21 (1980) 4357
24. Whitten J.L. J. Vac. Sci. Technol. A 17 (1999) 1710
25. Sremniak L., and Whitten J.L. Surf. Sci. 516 (2002) 254
26. Whitten J.L. J. Phys. Chem. A 105 (2001) 7091
27. Whitten J.L., and Yang H. Surf. Sci. Rep. 24 (1996) 55
28. Whitten J.L., and Yang H. Int. J. Quantum Chem.: Quantum Chem. Symp. 29 (1995) 41
29. Whitten J.L., and Yang H. Transition State Modeling for Catalysis (1998), American Chemical Society, Washington
30. Woon D.E., and Dunning Jr. T.H. J. Chem. Phys. 98 (1998) 1358
31. Buenker R.J., Liebermann H.-P., Kokh D.B., Izgorodina E.I., and Whitten J.L. Chem. Phys. 291 (2003) 115
32. Buenker R.J., and Peyerimhoff S.D. Theor. Chim. Acta 35 (1974) 33
33. Buenker R.J., and Peyerimhoff S.D. Theor. Chim. Acta 39 (1975) 217
34. Buenker R.J., Peyerimhoff S.D., and Butscher W. Mol. Phys. 35 (1978) 771
35. Krebs S., and Buenker R.J. J. Chem. Phys. 103 (1995) 5613
36. Knowles D.B., Alvarez-Collado J.R., Hirsch G., and Buenker R.J. J. Chem. Phys. 92 (1990) 585
37. Ramírez-Solís A. J. Chem. Phys. 117 (2002) 1047
38. Campbell Ch.T. Surf. Sci. 173 (1976) L641
39. Tu Y.-Y., and Blakely J.M. Surf. Sci. 85 (1979) 276
40. Smith J.R., Kim J.B., and Lineberger W.C. Phys. Rev. A 55 (1997) 2036
41. MacKay G.J., Hemsworth R.S., and Bohme D.K. Can. J. Chem. 54 (1976) 1624
42. Ellison G.B., Engelking P.C., and Lineberger W.C. J. Am. Chem. Soc. 100 (1978) 2556