Adsorption of hydrazine on the perfect and defective copper (111) surface: A dispersion-corrected DFT study

Surface Science

Volumn 622, Issue , 2014, Pages 1-8

  Tafreshi, Saeedeh S ^a   Roldan, Alberto ^a   Dzade, Nelson Y ^a   De Leeuw, Nora H ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

Copper surface sites; DFT; Dispersion correction; Hydrazine adsorption

Indexed keywords

EID: 84894097759     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2013.11.013     Document Type: Article

References (49)

1. D.A. Jones Principles and Prevention of Corrosion 1996 Prentice Hall Upper saddle River, NJ
2. A. Filankembo, S. Giorgio, I. Lisiecki, and M.P. Pileni J. Phys. Chem. B 107 2003 7492
3. C.L. Kitchens, M.C. McLeod, and C.B. Roberts J. Phys. Chem. B 107 2003 11331
4. I. Lisiecki, and M.P. Pileni J. Am. Chem. Soc. 115 1993 3887
5. M.P. Pileni Langmuir 17 2001 7476
6. C. Salzemann, L. Lisiecki, J. Urban, and M.P. Pileni Langmuir 20 2004 11772
7. J. Tanori, and M.P. Pileni Adv. Mater. 7 1995 862
8. J. Tanori, and M.P. Pileni Langmuir 13 1997 639
9. Y.H. Wei, S. Chen, B. Kowalczyk, S. Huda, T.P. Gray, and B.A. Grzybowski J. Phys. Chem. C 114 2010 15612
10. I. Lisiecki J. Phys. Chem. B 109 2005 12231
11. L. Vitos, A.V. Ruban, H.L. Skriver, and J. Kollar Surf. Sci. 411 1998 186
12. M.R. Andrew, W.J. Gressler, J.K. Johnson, R.T. Short, and K.R. Williams J. Appl. Electrochem. 2 1972 327
13. E. Granot, B. Filanovsky, I. Presman, I. Kuras, and F. Patolsky J. Power Sources 204 2012 116
14. K. Yamada, K. Asazawa, K. Yasuda, T. Ioroi, H. Tanaka, Y. Miyazaki, and T. Kobayashi J. Power Sources 115 2003 236
15. T.D. Daff, D. Costa, I. Lisiecki, and N.H. de Leeuw J. Phys. Chem. C 113 2009 15714
16. T.D. Daff, and N.H. de Leeuw J. Mater. Chem. 22 2012 23210
17. P. Hohenberg, and W. Kohn Phys. Rev. B 136 1964 B864
18. W. Kohn, and L.J. Sham Phys. Rev. 140 1965 1133
19. S. Grimme J. Comput. Chem. 25 2004 1463
20. S. Grimme J. Comput. Chem. 27 2006 1787
21. G. Kresse, and J. Furthmuller Nato Sc S Ss Iii C S 6 1996 15
22. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169
23. G. Kresse, and J. Hafner Phys. Rev. B 49 1994 14251
24. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
25. P.E. Blochl Phys. Rev. B 50 1994 17953
26. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
27. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
28. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
29. M.E. Straumanis, and L.S. Yu Acta Crystallogr. A Cryst. 25 1969 676
30. I. Galanakis, N. Papanikolaou, and P.H. Dederichs Surf. Sci. 511 2002 1
31. H.L. Skriver, and N.M. Rosengaard Phys. Rev. B 46 1992 7157
32. H. Wawra Z Metallkd. 66 1975 492
33. H. Wawra Z Metallkd. 66 1975 395
34. N.H. de Leeuw, and C.J. Nelson J. Phys. Chem. B 107 2003 3528
35. N.H. de Leeuw, C.J. Nelson, C.R.A. Catlow, P. Sautet, and W. Dong Phys. Rev. B 69 2004
36. N.H. de Leeuw, S.C. Parker, C.R.A. Catlow, and G.D. Price Am. Mineral. 85 2000 1143
37. M. Karimi, T. Tomkowski, G. Vidali, and O. Biham Phys. Rev. B 52 1995 5364
38. N. Atodiresei, V. Caciuc, J.H. Franke, and S. Blugel Phys. Rev. B 78 2008
39. S. Irrera, A. Roldan, G. Portalone, and N.H. De Leeuw J. Phys. Chem. C 117 2013 3949
40. J. Tersoff, and D.R. Hamann Phys. Rev. B 31 1985 805
41. L. Kohler, and G. Kresse Phys. Rev. B 70 2004
42. S. Lizzit, A. Baraldi, A. Groso, K. Reuter, M.V. Ganduglia-Pirovano, C. Stampl, M. Scheffler, M. Stichler, C. Keller, W. Wurth, and D. Menzel Phys. Rev. B 63 2001
43. D.M. Littrell, and B.J. Tatarchuk J. Vac. Sci. Technol. A 4 1986 1608
44. Z.H. Zeng, J.L.F. Da Silva, H.Q. Deng, and W.X. Li Phys. Rev. B 79 2009
45. Z.H. Zeng, X.F. Ma, W.C. Ding, and W.X. Li Sci. China Chem. 53 2010 402
46. Y.K. Alhaydari, J.M. Saleh, and M.H. Matloob J. Phys. Chem. 89 1985 3286
47. M.H. Matloob, and M.W. Roberts J. Chem. Soc. Faraday Trans. 1 73 1977 1393
48. D.J. Alberas, J. Kiss, Z.M. Liu, and J.M. White Surf. Sci. 278 1992 51
49. M. Grunze Surf. Sci. 81 1979 603