Processes of H 2 adsorption on Fe(1 1 0) surface: A density functional theory study

Applied Surface Science

Volumn 296, Issue , 2014, Pages 47-52

  Xie, Weiwei ^a   Peng, Liang ^a   Peng, Daoling ^a   Gu, Feng Long ^a   Liu, Jun ^b  

^a SOUTH CHINA NORMAL UNIVERSITY   (China)

^b Material Design and Simulation Technology Co Ltd   (China)

Author keywords

Adsorption processes; Coverage; Density functional theory; Fe(1 1 0) surface

Indexed keywords

ATOMS; GAS ADSORPTION; HYDROGEN BONDS; IRON; IRON COMPOUNDS; SURFACE STRUCTURE;

ABSORPTION SITES; ADSORPTION ENERGIES; ADSORPTION PROCESS; ATOMIC GEOMETRY; COVERAGE; DENSITY FUNCTIONAL THEORY STUDIES; HYDROGEN ADSORPTION; WEAK ADSORPTION;

DENSITY FUNCTIONAL THEORY;

EID: 84894335338     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2014.01.028     Document Type: Article

References (31)

1. D.H. Park, and J.G. Zeikus Biotechnol. Bioeng. 81 3 2003 348 355
2. N. Daneshvar, D.A. Salari, and R. Khataee J. Photochem. Photobiol. A 162 2-3 2004 317 322
3. M. Panizza, and G. Cerisola Water Res. 43 2 2009 339 344
4. J.X. Chen, and L.Z. Zhu Catal. Today 126 3-4 2007 463 470
5. Y. Zhuang, S. Ahn, L. Angelia, and R.G. Luthy Environ. Sci. Technol. 45 2011 4896 4903
6. A.C. Gerecke, P.C. Hartmann, N.V. Heeb, H.P.E. Kohler, W. Giger, P. Schmid, M. Zennegg, and M. Kohler Environ. Sci. Technol. 39 4 2005 1078 1083
7. M.Y. Ahn, T.R. Filley, C.T. Jafvert, L. Nies, I. Hua, and J. Bezares-Cruz Environ. Sci. Technol. 40 1 2006 215 220
8. Z.Q. Fang, X.H. Qiu, J.H. Chen, and X.Q. Qiu J. Hazard. Mater. 185 2011 958 969
9. Z.Q. Fang, X.Q. Qiu, J.H. Chen, and X.H. Qiu Appl. Catal. B: Environ. 100 2010 221 228
10. M.S. Daw, and M.I. Baskes Phys. Rev. Lett. 50 1983 1285
11. W.A. Dino, H. Kasaiji, and A. Okiji Prog. Surf. Sci. 63 3-5 2000 63 134
12. G. Ertl, K. Christmann, O. Schober, and M. Neumann J. Chem. Phys. 60 1974 4528 4540
13. R. Imbihl, R.J. Behm, K. Christmann, G. Ertl, and T. Matsushima Surf. Sci. 117 1982 257
14. G. Ertl, F. Boaso, M. Grunze, and M. Weiss Appl. Surf. Sci. 1 1977 103 119
15. W. Moritz, R. Imbihl, R.J. Behm, and T. Matsushima J. Chem. Phys. 83 4 1985 1959 1968
16. L. Hammer, H. Landskron, W. Nichtl-Pecher, A. Fricke, K. Heinz, and K. Müller Phys. Rev. B 47 23 1993 15969 15972
17. A.M. Baro, and W. Erley Surf. Sci. 112 1981 759
18. E.A. Kurtz, and J.B. Hudson Surf. Sci. 195 1988 15 31
19. D.E. Jiang, and E.A. Carter Surf. Sci. 547 1-2 2003 85 98
20. P. Cremasehi, H. Yang, and J.L. Whitten Surf. Sci. 330 3 1995 255 264
21. T.J. Raeker, and A.E. Depristo Surf. Sci. 235 1 1990 84 106
22. A. Juan, and R. Hoffmann Surf. Sci. 421 1-2 1999 1 16
23. R. Van Leeuwen, and E.J. Baerends Phys. Rev. A 49 4 1994 2421 2431
24. T.V. Russo, R.L. Martin, and P.J. Hay J. Chem. Phys. 101 9 1994 7729
25. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 18 1996 3865 3868
26. C.Y. Wang, W.Q. Jiqng, and Z.Y. Chen Mater. Res. Bull. 35 2000 53 58
27. D.C. Sorescu Catal. Today 105 1 2005 44 65
28. D.R. Lide CRC Handbook of Chemistry and Physics 2000 Chemical Rubber Company Press Boca Raton
29. R.G. Zhang, H.Y. Liu, J.R. Li, L.X. Ling, and B.J. Wang Appl. Surf. Sci. 258 2012 9932 9943
30. R.G. Zhang, H.Y. Liu, H.Y. Zheng, L.X. Ling, Z. Li, and B.J. Wang Appl. Surf. Sci. 257 2011 4787 4794
31. C.M. Chen Edward, W.E. Wentworth, and J.A. Ayala J. Chem. Phys. 67 6 1977 2642 2647