Hydrogen pairing on graphene

Carbon

Volumn 45, Issue 1, 2007, Pages 218-220

  Roman, Tanglaw ^a   Diño, Wilson Agerico ^a,b   Nakanishi, Hiroshi ^a   Kasai, Hideaki ^a   Sugimoto, Tsuyoshi ^c   Tange, Kyouichi ^c  

^a OSAKA UNIVERSITY   (Japan)

^b DE LA SALLE UNIVERSITY   (Philippines)

^c TOYOTA MOTOR CORPORATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34347329233     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2006.09.027     Document Type: Letter

References (15)

1. Jeloaica L., and Sidis V. DFT investigation of the adsorption of atomic hydrogen on a cluster-model graphite surface. Chem Phys Lett 300 (1999) 157-162
2. Sha X., and Jackson B. First-principles study of the structural and energetic properties of H atoms on a graphite (0 0 0 1) surface. Surf Sci 496 (2002) 318-330
3. Sha X., Jackson B., and Lemoine D. Quantum studies of Eley-Rideal reactions between H atoms on a graphite surface. J Chem Phys 116 (2002) 7158-7169
4. Miura Y., Kasai H., Diño W.A., Nakanishi H., and Sugimoto T. Effective pathway for hydrogen atom adsorption on graphene. J Phys Soc Jpn 72 (2003) 995-997
5. 2 on graphene. J Appl Phys 93 (2003) 3395-3400
6. Zecho T., Güttler A., Sha X., Jackson B., and Küppers J. Adsorption of hydrogen and deuterium atoms on the (0 0 0 1) graphite surface. J Chem Phys 117 (2002) 8486-8492
7. Zecho T., Güttler A., and Küppers J. A TDS study of adsorption on terraces and terrace edges of graphite (0 0 0 1) surfaces. Carbon 42 (2004) 609-617
8. Hornekaer L., Sljivancanin Z., Xu W., Otero R., Rauls E., Stensgaard I., et al. Metastable structures and recombination pathways for atomic hydrogen on the graphite (0 0 0 1) surface. Phys Rev Lett 96 (2006) 156104
9. Andree A., Le Lay M., Zecho T., and Küppers J. Pair formation and clustering of D on the basal plane of graphite. Chem Phys Lett 425 (2006) 99-104
10. Allouche A., Ferro Y., Angot T., Thomas C., and Layet J.M. Hydrogen adsorption on graphite (0 0 0 1) surface: a combined spectroscopy-density-functional-theory study. J Chem Phys 123 (2005) 124701
11. Hammer B., Hansen L.B., and Nørskov J.K. Improved adsorption energetics within density functional theory using revised PBE functionals. Phys Rev B 59 (1999) 7413-7421
12. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., et al. Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation. Phys Rev B 46 (1992) 6671-6687
13. Monkhorst H.J., and Pack J.D. Special points for Brillouin-zone integrations. Phys Rev B 13 (1976) 5188-5192
14. Allouche A., Jelea A., Marinelli F., and Ferro Y. Hydrogenation and dehydrogenation of graphite (0 0 0 1) surface: a density functional theory study. Phys Scr T124 (2006) 91-95
15. Ferro Y., Marinelli F., and Allouche A. Density functional theory investigation of the diffusion and recombination of H on a graphite surface. Chem Phys Lett 368 (2003) 609-615