Hydrogenation and dehydrogenation of graphite (0001) surface: A density functional theory study

Physica Scripta T

Volumn T124, Issue , 2006, Pages 91-95

  Allouche, A ^a   Jelea, A ^a,b   Marinelli, F ^a   Ferro, Y ^a  

^a CNRS   (France)

^b IRFM   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; DENSITY FUNCTIONAL THEORY; GRAPHITE; HYDROGEN; QUANTUM THEORY;

ATOMIC OXYGEN; QUANTUM MOLECULAR DYNAMICS;

HYDROGENATION;

EID: 33747004321     PISSN: 02811847     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1088/0031-8949/2006/T124/018     Document Type: Article

References (26)

1. Letardi S, Celino M, Cleri F and Rosatto V 2002 Surf. Sci. 496 33
2. Ma Y, Xia Y, Zhao M, Wang R and Mei L 2001 Phys. Rev. B 63 115422
3. Jeloaica L and Sidis V 1999 Chem. Phys. Lett. 300 157
4. Sha X, Jackson B and Lemoine D 2002 J. Chem. Phys. 116 7158
5. Küppers J 1995 Surf. Sci. Rep. 22 249
6. Mayer M, Philipps V, Wienhold P, Hesser H G, von Seggern J and Rubel M 2001 J. Nucl. Mater. 290-293 381
7. Ferro Y, Marinelli F and Allouche A 2002 J. Chem. Phys. 116 8124
8. Ferro Y, Marinelli F and Allouche A 2003 Chem. Phys. Lett. 368 609
9. Balden M, Klages K U, Jacob W and Roth J 2005 J. Nucl. Mater. 341 31
10. Nosé S 1984 J. Chem. Phys. 81 511
11. Troullier N and Martins J L 1991 Phys. Rev. B 43 1993
12. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
13. Baroni S et al www.pwscf.org/
14. SIESTA: www.uam.es/departamentos/ciencias/ fismateriac/siesta/.
15. Ferro Y, Marinelli F, Brosset C and Allouche A 2004 Phys. Scr. T 108 76
16. Jelea A, Marinelli F, Ferro Y, Allouche A and Brosset C 2004 Carbon 42 3189
17. Haasz A A, Franzen P, Davis J W, Chiu S and Pitcher C S 1995 J. Appl. Phys. 77 66
18. Zecho T, Güttler A, Sha X, Jackson B and Küppers J 2002 J. Chem. Phys. 117 8486
19. Zecho T, Güttler A and Küppers J 2004 Carbon 42 609
20. Güttler A, Zecho T and Küppers J 2004 Carbon 42 337
21. Xu Y J and Li J-Q 2004 Chem. Phys. Lett. 400 406
22. Hsu W L 1969 J. Vac. Sci. Technol. 7 1047
23. Wang W, Jacob W and Roth J 1997 J. Nucl. Mater. 245 66
24. Haasz A A and Davis J W 1998 J. Nucl. Mater. 256 65
25. Shu W M, Gentile C A, Skinner C H, Langish S and Nishi M F 2002 Fusion Eng. Des. 61-62 599
26. Allouche A, Jelea A and Ferro Y unpublished