Molecular dynamics simulations on hydrogen adsorption in finite single walled carbon nanotube bundles

Journal of Molecular Modeling

Volumn 14, Issue 5, 2008, Pages 343-351

  Knippenberg, M Todd ^a   Stuart, Steven J ^b   Cheng, Hansong ^a  

^a AIR PRODUCTS AND CHEMICALS INC   (United States)

^b CLEMSON UNIVERSITY   (United States)

Author keywords

Hydrogen storage; Molecular dynamics; Single walled carbon nanotubes

Indexed keywords

ADSORBENT; HYDROGEN; SINGLE WALLED NANOTUBE;

ADSORPTION; ARTICLE; FORCE; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; STORAGE;

ADSORPTION; COMPUTER SIMULATION; HYDROGEN; NANOTUBES, CARBON;

EID: 41549109869     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0275-2     Document Type: Article

References (29)

1. Berry GD, Aceves SM (1998) Energy & fuels 12:49-55
2. Züttel A, Nützenadel Ch, Sudan P, Mauron Ph, Emmenegger Ch, Rentsch S, Schlapbach L, Weidenkaff A, Kiyobayashi T (2002) J Alloys and Compounds 330:676-682
3. Dillon AC, Jones KM, Bekkedahl TA, Kiang CH, Bethune DS, Heben MJ (1997) Nature 386:377-379
4. Shiraishi M, Takenobu T, Ata M (2003) Chem Phys Lett 367:633-636
5. Watanabe M, Soma M, Onishi T, Tamaru K (1971) Nat Phys Sci 233:160-161
6. Watanabe K, Kondow T, Soma M, Onishi T, Tamaru K (1973) Proc Roy Soc Lond A A333:51-67
7. Terai T, Takahashi Y (1989) Synth Met 34:329-334
8. Pace EL, Siebert AR (1959) J Phys Chem 63:1398-1400
9. Dericbourg J (1976) Surf Sci 59:565-574
10. Constabaris G, Sams Jr JR, Halsey Jr GD (1961) J Phys Chem 65:367-369
11. Benard P, Chahine R (2001) Langmuir 17:1950-1955
12. Liu CY, Fan Y, Liu M, Cong HT, Cheng HM, Dresselhaus MS (1999) Science 286:1127-1129
13. Ye Y, Ahn CC, Witham C, Fultz B, Liu J, Rinzler AG, Colbert D, Smith KA, Smalley RE (1999) Appl Phys Lett 74:2307-2309
14. Okamoto Y, Miyamoto Y (2001) J Phys Chem B 105:3470-3474
15. Cheng H, Pez GP, Cooper AC (2001) J Am Chem Soc 123:5845-5846
16. Canto G, Ordejón P, Cheng H, Cooper AC, Pez GP (2003) New J Phys 5:124.1-124.8
17. Cheng H-M, Yang Q-H, Liu C (2001) Carbon 39:1447-1454
18. Simonyan VV, Johnson JK (2002) J Alloys and Comp 330:659-665
19. Kostov MK, Cheng H, Cooper AC, Pez GP (2002) Phys Rev Lett 89:146105.1-146105.4
20. Cheng H, Cooper AC, Pez GP, Kostov MK, Piotrowski P, Stuart SJ (2005) J Phys Chem B 109:3780-3786
21. Shi W, Johnson JK (2003) Phys Rev Lett 2003 91:015504.1-015504.4
22. Knippenberg MT, Stuart SJ, Cooper AC, Pez GP, Cheng H (2006) J Phys Chem B 110:22957-22960
23. Yang FH, Lachawiec Jr AJ, Yang RT (2006) J Phys Chem B 110:6236-6244
24. Dresselhaus MS, Williams KA, Eklund PC (1999) MRS Bull 24:45-50
25. Stuart SJ, Tutein AB, Harrison JA (2000) J Chem Phys 112:6472-6486
26. Huarte-Larrañaga F, Albertí M (2007) Chem Phys Lett 445:227-232
27. Salvetat J-P, Briggs GAD, Bonard J-M, Bacsa RR, Kulik AJ, Stöckli T, Burnham N, Lászli F (1999) Phys Rev Lett 82:944-947
28. Kondratyuk P, Wang Y, Johnson JK, Yates Jr JT (2005) J Phys Chem B 109:20999-21005
29. Weng C-I, Ju S-P, Fang K-C, Chang F-P (2007) Comp Mater Sci 40:300-308