Stable hydrogen configurations between graphite layers

Journal of the Physical Society of Japan

Volumn 72, Issue 8, 2003, Pages 1867-1870

  Diño, Wilson Agerico ^a   Miura, Yoshio ^a,b,d   Nakanishi, Hiroshi ^a   Kasai, Hideaki ^a   Sugimoto, Tsuyoshi ^c  

^a OSAKA UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c TOYOTA MOTOR CORPORATION   (Japan)

^d TOHOKU UNIVERSITY   (Japan)

Author keywords

Atomic hydrogen; Carbon nanomaterials; Density functional theory; Deuterium; Graphite layers; Hydrogen; Molecular hydrogen; Nanographite; Neutron diffraction experiments; Thermal desorption experiments

Indexed keywords

CARBON; GRAPHITE; HYDROGEN;

ARTICLE; ATOMIC PARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; MATHEMATICAL ANALYSIS; NEUTRON DIFFRACTION; SURFACE PROPERTY; THERMAL ANALYSIS;

EID: 0141977259     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.72.1867     Document Type: Article

References (24)

1. H. M. Cheng, Q. H. Yang and C. Liu: Carbon 39 (2001) 1447.
2. G. E. Froudakis: J. Phys.: Condens. Matter 14 (2002) R453.
3. J. P. Chen and R. T. Yang: Surf. Sci. 216 (1989) 481.
4. A. C. Dillon, K. M. Jones, T. A. Bekkedahl, C. H. Kiang, D. S. Bethune and M. J. Heben: Nature 386 (1997) 377.
5. Q. Wang and J. K. Johnson: J. Chem. Phys. 110 (1999) 577.
6. F. Darkrim and D. Levesque: J. Chem. Phys. 109 (1998) 4981.
7. A. Chambers, C. Park, R. Terry, K. Baker and N. M. Rodriguez: J. Phys. Chem. B 102 (1998) 4253.
8. L. Jeloaica and V. Sidis: Chem. Phys. Lett. 300 (1999) 157.
9. V. V. Simonyan, P. Diep and J. K. Johnson: J. Chem. Phys. 111 (1999) 9778.
10. C. Liu, Y. Y. Fan, M. Liu, H. T. Cong, H. M. Cheng and M. S. Dresselhaus: Science 286 (1999) 1127.
11. S. M. Lee and Y. H. Lee: Appl. Phys. Lett. 76 (2000) 2877.
12. K. A. Williams and P. C. Eklund: Chem. Phys. Lett. 320 (2000) 352.
13. K. Tada, S. Furuya and K. Watanabe: Phys. Rev. B 63 (2001) 155405.
14. S. Orimo, T. Matsushima, H. Fujii, T. Fukunaga and G. Majer: J. Appl. Phys. 90 (2001) 1545.
15. M. Rutigliano, M. Cacciatore and G. D. Billing: Chem. Phys. Lett. 340 (2001) 13.
16. F. H. Yang and R. T. Yang: Carbon 40 (2002) 437.
17. T. Fukunaga, K. Itoh, S. Orimo, M. Aoki and H. Fujii: J. Alloys Compd. 327 (2001) 224.
18. X. Sha and B. Jackson: Surf. Sci. 496 (2002) 318.
19. Y. Miura, H. Kasai, W. A. Diño, H. Nakanishi and T. Sugimoto: J. Appl. Phys. 93 (2003) 3395.
20. We used the code DACAPO-2.4.6 of Hammer et al., CAMP, DTU, Denmark.
21. D. Vanderbilt: Phys. Rev. B 41 (1990) 7892.
22. H. J. Monkhorst and J. D. Pack: Phys. Rev. B 13 (1976) 5188.
23. M. Rasolt and D. J. W. Geldart: Phys. Rev. B 34 (1986) 1325.
24. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh and C. Fiolhais: Phys. Rev. B 46 (1992) 6671.