Effects of hydrogen chemisorption on the structure and deformation of single-walled carbon nanotubes

Applied Physics Letters

Volumn 94, Issue 10, 2009, Pages

  Muniz, Andre R ^a   Singh, Tejinder ^a   Maroudas, Dimitrios ^a  

^a University of Massachusetts   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISORPTION; DEFORMATION; HYDROGEN; SINGLE-WALLED CARBON NANOTUBES (SWCN); STEREOCHEMISTRY;

ATOMIC HYDROGENS; AXIAL STRAINS; HYDROGEN CHEMISORPTIONS; MOLECULAR-DYNAMICS SIMULATIONS; STRUCTURAL TRANSITIONS;

CARBON NANOTUBES;

EID: 62549165209     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3095923     Document Type: Article

References (14)

1. B. N. Khare, M. Meyyappan, A. M. Cassell, C. V. Nguyen, and J. Han, Nano Lett. 1530-6984 10.1021/nl015646j 2, 73 (2002).
2. P. Ruffieux, O. Gröning, M. Bielmann, P. Mauron, L. Schlapbach, and P. Gröning, Phys. Rev. B 0163-1829 10.1103/PhysRevB.66.245416 66, 245416 (2002).
3. A. Nikitin, H. Ogasawara, D. Mann, R. Denecke, Z. Zhang, H. Dai, K. Cho, and A. Nilsson, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.95.225507 95, 225507 (2005).
4. G. Zhang, P. Qi, X. Wang, Y. Lu, D. Mann, X. Li, and H. Dai, J. Am. Chem. Soc. 128, 6026 (2006).
5. A. Nikitin, X. Li, Z. Zhang, H. Ogasawara, H. Dai, and A. Nilsson, Nano Lett. 1530-6984 10.1021/nl072325k 8, 162 (2008).
6. Maximum SWCNT H storage capacities are higher (by 1 wt %) than the U.S. DOE 2010 targets for on-board H storage systems (http://www1.eere.energy.gov/ hydrogenandfuelcells/storage/current-technology.html).
7. G. Zheng, Q. Li, K. Jiang, X. Zhang, J. Chen, Z. Ren, and S. Fan, Nano Lett. 1530-6984 10.1021/nl070585w 7, 1622 (2007).
8. T. Yildirim, O. Gulseren, and S. Ciraci, Phys. Rev. B 0163-1829 10.1103/PhysRevB.64.075404 64, 075404 (2001).
9. O. Gulseren, T. Yildirim, and S. Ciraci, Phys. Rev. B 0163-1829 10.1103/PhysRevB.66.121401 66, 121401 (2002).
10. M. Volpe and F. Cleri, Surf. Sci. 0039-6028 10.1016/j.susc.2003.07.010 544, 24 (2003).
11. K. A. Park, K. Seo, and Y. H. Lee, J. Phys. Chem. B 109, 18 (2005). 1520-6106
12. S. J. Stuart, A. B. Tutein, and J. A. Harrison, J. Chem. Phys. 0021-9606 10.1063/1.481208 112, 6472 (2000).
13. H. J. C. Berendsen, J. P. M. Postma, W. F. Vangunsteren, A. Dinola, and J. R. Haak, J. Chem. Phys. 0021-9606 10.1063/1.448118 81, 3684 (1984).
14. G. Kresse and J. Furthmuller, Phys. Rev. B 0163-1829 10.1103/PhysRevB.54. 11169 54, 11169 (1996).