The role of heteroatoms in carbon nanotubes for hydrogen storage

Carbon

Volumn 44, Issue 13, 2006, Pages 2816-2821

  Sankaran, M ^a   Viswanathan, B ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY MADRAS   (India)

Author keywords

Absorption; Adsorption; Carbon nanotubes; Gas storage; Surface properties

Indexed keywords

ABSORPTION; ADSORPTION; HYDROGENATION; NITROGEN; PROBABILITY DENSITY FUNCTION; STORAGE (MATERIALS); SURFACE PROPERTIES;

CARBON MATERIALS; HYDROGEN ACTIVATION; HYDROGEN ADSORPTION;

CARBON NANOTUBES;

EID: 33747810080     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2006.03.025     Document Type: Article

References (30)

1. Züttel A. Materials for hydrogen storage. Mater Today 6 9 (2003) 24-33
2. Grochala W., and Edwards P.P. Thermal decomposition of the non-interstitial hydrides for the storage and production of hydrogen. Chem Rev 104 3 (2004) 1283-1316
3. Bogdanovic B., and Schwickardi M. Ti-doped alkali metal aluminium hydrides as potential novel reversible hydrogen storage materials. J Alloys Compd 253-254 (1997) 1-9
4. Dillon A.C., Jones K.M., Bekkedahl T.A., Kiang C.H., Bethune D.S., and Heben M.J. Storage of hydrogen in single-walled carbon nanotubes. Nature 386 (1997) 377-379
5. Chambers A., Parks C., Baker R.T.K., and Rodriguez N.M. Hydrogen storage in graphite nanofibers. J Phys Chem B 102 22 (1998) 4253-4256
6. Liu C., Fan Y.Y., Liu M., Cong H.T., Cheng H.M., and Dresselhaus M.S. Hydrogen storage in single walled carbon nanotubes at room temperature. Science 286 (1999) 1127-1129
7. Lee S.M., Park K.S., Choi Y.C., Park Y.S., Bok J.M., Bae D.J., et al. Hydrogen adsorption and storage in carbon nanotubes. Synth Met 113 (2000) 209-216
8. Ye Y., Ahn C.C., Witham C., Fultz B., Liu J., Rinzler A.G., et al. Hydrogen adsorption and cohesive energy of single-walled carbon nanotubes. Appl Phys Lett 74 16 (1999) 2307-2309
9. Lueking A., and Yang R.T. Hydrogen spillover from a metal oxide catalyst onto carbon nanotubes-implications for hydrogen storage. J Catal 206 1 (2002) 165-168
10. 2 uptake by alkali-doped carbon nanotubes under ambient pressure and moderate temperatures. Science 285 (1999) 91-93
11. Pinkerton F.E., Wicke B.G., Olk C.H., Tibbetts G.G., Meisner G.P., Meyer M.S., et al. Thermogravimetric measurement of hydrogen absorption in alkali-modified carbon materials. J Phys Chem B 104 40 (2000) 9460-9467
12. Yang R.T. Hydrogen storage by alkali-doped carbon nanotubes-revisited. Carbon 38 4 (2000) 623-626
13. Wang Q., and Johnson J.K. Optimization of carbon nanotubes arrays for hydrogen adsorption. J Phys Chem B 103 (1999) 4809-4813
14. Dodziuk H., and Dolgonos G. Molecular modeling study of hydrogen storage in carbon nanotubes. Chem Phys Lett 356 (2002) 79-83
15. Lee S.M., and Lee Y.H. Hydrogen storage in single walled carbon nanotubes. Appl Phys Lett 76 20 (2000) 2877-2879
16. Froudakis G.E. Hydrogen interaction with single walled carbon nanotubes: a combined quantum mechanical/molecular mechanics study. Nano Lett 1 4 (2001) 179-182
17. Bauschlicher Jr. C.W., and Christopher R. High coverage of hydrogen on (10, 0) (9, 0) and (5, 5) carbon nanotubes. Nano Lett 2 4 (2002) 337-341
18. Ma Y., Xia Y., Zhao M., and Ying M. Structures of hydrogen molecules in single walled carbon nanotubes. Chem Phys Lett 357 (2002) 97-102
19. Schimmel H.G., Kearley G.J., Nijkamp M.G., Visser C.T., de Jong K.P., and Mulder F.M. Hydrogen adsorption in carbon nanostructures: comparison of nanotubes, fibres, and coals. Chem Eur J 9 (2003) 4764-4770
20. 2 adsorption in single-walled carbon nanotubes. Appl Phys Lett 79 22 (2001) 3684-3686
21. Becke A.D. Density-functional thermochemistry. III. The role of exact exchange. J Chem Phys 98 7 (1993) 5648-5652
22. Lee C., Yang W., and Parr R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys Rev B 37 (1988) 785-789
23. Yang F.H., and Yang R.T. Ab initio molecular orbital study of adsorption of atomic hydrogen on graphite: insight into hydrogen storage in carbon nanotubes. Carbon 40 (2002) 437-444
24. Chan S.P., Chen G., Gong X.G., and Liu F.L. Chemisorption of hydrogen molecules on carbon nanotubes under high pressure. Phys Rev Lett 87 20 (2001) 205502-1-205502-4
25. Rappe A.K., Casewit C.J., Colwell K.S., Goddard W.A., and Skiff W.M. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J Am Chem Soc 144 (1992) 10024-10035
26. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., et al. Gaussian 03. Revision C.02 (2004), Gaussian Inc., Wallingford, CT
27. Sankaran M., Muthukumar K., and Viswanathan B. Boron substituted fullerene-Can they be one of the options for hydrogen storage?. Full Nanotubes Carbon Nanostruct 13 1 (2005) 43-52
28. Weast R.C. Handbook of chemistry and physics. 59th ed. (1978), CRC Press p. F217
29. Sankaran M., and Viswanathan B. Hydriding of nitrogen containing carbon nanotubes. Bull Catal Soc India 2 1&2 (2003) 9-11
30. Zhu Z.H., Hatori H., Wang S.B., and Lu G.Q. Insights into hydrogen atom adsorption on and the electrochemical properties of nitrogen substituted carbon materials. J Phys Chem B 109 35 (2005) 16744-16749