Density functional theory analysis of the Ni(1 1 0)c(2 × 2)-CN surface phase

Surface Science

Volumn 580, Issue 1-3, 2005, Pages 145-152

  Knight, M J ^a   Robinson, J ^a   Woodruff, D P ^a  

^a UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

Chemisorption; Cyanide; Density functional calculations; Low index single crystal surfaces; Nickel; Surface structure

Indexed keywords

ADSORPTION; CHEMISORPTION; CRYSTAL STRUCTURE; CYANIDES; LOW ENERGY ELECTRON DIFFRACTION; MATHEMATICAL MODELS; NICKEL; PROBABILITY DENSITY FUNCTION; SINGLE CRYSTALS; X RAY DIFFRACTION ANALYSIS;

DENSITY FUNCTIONAL CALCULATIONS; LOW INDEX SINGLE CRYSTAL SURFACES; PHOTOELECTRON DIFFRACTION; SURFACE BONDING;

SURFACE STRUCTURE;

EID: 15844397590     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2005.02.028     Document Type: Article

References (31)

1. R.E. Benner, K.U. von Raben, R. Dornhaus, R.K. Chang, B.L. Laube, and F.A. Otter Surf. Sci. 102 1981 7
2. K. Kunimatsu, H. Seki, W.G. Golden, J.G. Gordon II, and M.R. Philpott Surf. Sci. 158 1985 596
3. D.S. Corrigan, P. Gao, L.-W.H. Leung, and M.J. Weaver Langmuir 2 1986 744
4. W. Daum, F. Dederichs, and J.E. Müller Phys. Rev. Lett. 80 1998 766
5. erratum Phys. Rev. Lett. 85 2000 2655
6. N.A. Booth Surf. Sci. 416 1998 448
7. D. Brown, D.P. Woodruff, T.C.Q. Noakes, and P. Bailey Surf. Sci. 476 2001 L241
8. C. Bittencourt, E.A. Soares, and D.P. Woodruff Surf. Sci. 526 2003 33
9. F. Bondino, A. Baraldi, H. Over, G. Comelli, P. Lacovig, S. Lizzit, G. Paolucci, and R. Rosei Phys. Rev. B 64 2001 085422
10. F. Bondino, E. Vesselli, A. Baraldi, G. Comelli, A. Verdini, A. Cossaro, L. Floreano, and A. Morgante J. Chem. Phys. 118 2003 10735
11. M.G. Ramsey, D. Steinmuller, F.P. Netzer, M. Neuber, L. Ackermann, J. Lauber, and N. Rosch Surf. Sci. 260 1992 163
12. M.G. Ramsey, D. Steinmuller, F.P. Netzer, S. Kostlmeier, J. Lauber, and N. Rosch Surf. Sci. 307 1994 82
13. I. Kardinal, F.P. Netzer, and M.G. Ramsey Surf. Sci. 376 1997 229
14. R.I.R. Blyth, I. Kardinal, F.P. Netzer, M.G. Ramsey, D. Chrysostomou, and D.R. Lloyd Surf. Sci. 415 1998 227
15. B.G. Daniels, F. Schedin, O. Bikondoa, G. Thornton, and R. Lindsay Surf. Sci. 572 2004 433
16. M.C. Payne, M.P. Teter, D.C. Allen, T.A. Arias, and J.D. Joannopoulos Rev. Mod. Phys. 64 1992 1045
17. http://www.accelrys.com/cerius2/qmw.html
18. B. Hammer, L.B. Hansen, and J.K. Nørskov Phys. Rev. B 59 1999 7413
19. Y. Gauthier, R. Baudoing, Y. Joly, C. Gaubert, and J. Rundgren J. Phys. C: Solid State Phys. 17 1984 4547
20. M.L. Xu, and S.Y. Tong Phys. Rev. B 31 1985 6332
21. D.L. Adams, L.E. Petersen, and C.S. Sorensen J. Phys. C. Solid State Phys. 18 1985 1753
22. W. Reimer, V. Penka, M. Skottke, R.J. Behm, G. Ertl, and W. Moritz Surf. Sci. 186 1987 45
23. J.F. van der Veen, R.G. Smeenk, R.M. Tromp, and F.W. Saris Surf. Sci. 79 1979 212
24. R. Feidenhansl, J.E. Sorensen, and I. Stensgaard Surf. Sci. 134 1983 329
25. E. Tornqvist, E.D. Adams, M. Copel, T. Gustafsson, and W.R. Graham J. Vac. Sci. Technol. A 2 1984 939
26. S.M. Yalisove, W.R. Graham, E.D. Adams, M. Copel, and T. Gustafsson Surf. Sci. 171 1986 400
27. X.-Y. Zhou, D.-H. Shi, and P.-L. Cao Surf. Sci. 223 1989 393
28. H. Yang, T.C. Caves, and J.L. Whitten J. Chem. Phys. 103 1995 8756
29. H. Yang, and J.L. Whitten J. Chem. Phys. 107 1997 8518
30. F. Ample, J.M. Ricart, A. Clotet, D. Curulla, and J.W. Niemantsverdriet Chem. Phys. Lett. 385 2004 52
31. M. Polcik, M. Kittel, J.T. Hoeft, R. Terborg, R.L. Toomes, and D.P. Woodruff Surf. Sci. 563 2004 159