Ab initio simulations of H2 in Li-doped carbon nanotube systems

Journal of Physics Condensed Matter

Volumn 19, Issue 8, 2007, Pages

  Sabir, A K ^a   Lu, Wenchang ^b   Roland, Christopher ^b   Bernholc, Jerzy ^b  

^a UNIVERSITY OF PUERTO RICO   (Puerto Rico)

^b NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI METALS; DIFFUSION BARRIERS; DOPING (ADDITIVES); GRAPHITE; HYDROGEN STORAGE;

HYDROGEN UPTAKE; MOLECULAR HYDROGEN; TOPOLOGICAL DEFECTS;

CARBON NANOTUBES;

EID: 33947589211     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/19/8/086226     Document Type: Article

References (35)

1. See, for example: Schlapbach L 2002 MRS Bull. 27 675 and references therein
2. See, for example: Dresselhaus M S, Williams K A and Eklund P C 1999 MRS Bull. 45 24 and references therein
3. For reviews on nanotubes, see for example: Dresselhaus M S, Dresselhaus G and Eklund P C 1996 Science of Fullerenes and Carbon Nanotubes (New York: Academic)
4. Bernholc J, Roland C and Yakobson B 1997 Crit. Rev. Solid State Mater. Sci. 2 706
5. Bernholc J, Brenner D, Buongiorno Nardelli M, Meunier V and Roland C 2002 Ann. Rev. Mater. Res. 32 347
6. Dillon A C, Jones K M, Bekkedahl T A, Kiang C H, Bethune D S and Heben M J 1997 Nature 386 377
7. Ye Y, Ahn C C, Whitham C, Fultz B, Liu J, Rinzler A G, Colbert D, Smith K A and Smalley R E 1999 Appl. Phys. Lett. 74 2307-9
8. Strobel R, Jorissen L, Schliermann T, Trapp V, Shultz W, Bohmhammel K, Wolf G and Garche J 1999 J. Power Sources 84 221
9. Chen P, Wu X, Lin J and Tan K L 1999 Science 285 91
10. Ritschel M, Uhlemann M, Gutfleisch O, Leonhardt A, Graff A, Taschner C and Fink J 2002 Appl. Phys. Lett. 80 2985-7
11. Liu J, Rinzler A, Dai H, Hafner J, Bradley R, Lu A, Shelimov K, Rodriguez-Macias C, Boul F, Shon Y S, Lee T R, Colbert D T and Smalley R E 1998 Science 280 1253
12. Ajayan P M, Ravikumar V and Charlier J-C 1998 Phys. Rev. Lett. 81 1437
13. Gao B, Bower C, Lorentzen J, Fleming L, Kleinhammes A, Tang X P, McNeil L E, Wu Y and Zhou O 2000 Chem. Phys. Lett. 327 69
14. Zhao Q, Buongiorno Nardelli M and Bernholc J 2002 Phys. Rev. B 65 144105
15. Meunier V, Kephart J, Roland C and Bernholc J 2002 Phys. Rev. Lett. 88 075506
16. Meregalli V and Parrinello M 2001 Appl. Phys. A 72 143-6
17. Briggs E L, Sullivan D J and Bernholc J 1995 Phys. Rev. B 52 5471
18. Troullier N and Martin J L 1990 Solid State Commun. 74 13
19. Kleinman L and Bylander D M 1982 Phys. Rev. Lett. 48 1425
20. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3685
21. Andersson Y, Langreth D C and Lundqvist B I 1996 Phys. Rev. Lett. 76 102
22. Hult E, Lundqvist B I and Langreth D C 1996 Phys. Rev. Lett. 77 2029
23. Kohn W, Meir Y and Makarov D E 1998 Phys. Rev. Lett. 80 4153
24. Rydberg H, Dion M, Jacobson N, Schroeder E, Hyldgaard P, Simak S I, Langreth D C and Lundqvist B I 2003 Phys. Rev. Lett. 91 126402
25. Chakarova S D, Schroder E, Lundqvist B I and Langreth D C 2006 Phys. Rev. Lett. 96 146107
26. Du A J and Smith S C 2005 Nanotechnology 16 2118
27. Jacobson N, Tegner B, Shroder E, Hyldgaard P and Lundqvist B I 2002 Comput. Mater. Sci. 24 273-7
28. Buongiorno Nardelli M, Yakobson B I and Bernholc J 1998 Phys. Rev. Lett. 81 4656
29. Orlikowski D, Buongiorno Nardelli M, Bernholc J and Roland C 1999 Phys. Rev. Lett. 83 4132
30. Pinkerton F E, Wicke B G, Olk C H, Tibbetts G G, Meisner G P, Meyer M S and Herbst J F 2000 J. Phys. Chem. B 104 9460-7
31. Zhao J, Buldum A, Jie H and Lu J P 1999 Phys. Rev. Lett. 85 1706-9
32. Ajayan P M, Ebesen T W, Ichihashi T, Ijima S, Tanigaki K and Hiura H 1993 Nature 362 522-9
33. Ding R G, Lu G Q, Yang Z F and Wilson M A 2001 J. Nanosci. Nanotechnol. 1 7-21
34. van den Berg A W C, Bromley S T, Wojdel J C and Jansen J C 2005 Phys. Rev. B 72 155428
35. Froudakis G E 2002 J. Phys.: Condens. Matter 14 R453-65