H2 adsorption in Ni and passivated Ni doped 4 Å single walled carbon nanotube

International Journal of Hydrogen Energy

Volumn 38, Issue 18, 2013, Pages 7376-7381

  Seenithurai, S ^a   Kodi Pandyan, R ^a   Vinodh Kumar, S ^a   Mahendran, M ^a  

^a THIAGARAJAR COLLEGE OF ENGINEERING   (India)

Author keywords

Adsorption; Binding energy; Carbon nanotube; Density of states; DFT; Hydrogen storage

Indexed keywords

ATOMIC CHARGE; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY OF STATE; DFT; GEOMETRY OPTIMIZATION; HYDROGEN ADSORPTION; HYDROGEN ATOMS; ROOM TEMPERATURE;

ADSORPTION; ATOMS; BINDING ENERGY; CARBON NANOTUBES; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; HYDROGEN STORAGE; PASSIVATION; SINGLE-WALLED CARBON NANOTUBES (SWCN);

NICKEL;

EID: 84878781887     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2013.04.085     Document Type: Article

References (42)

1. G. Koh, Y.W. Zhang, and H. Pan First-principles study on hydrogen storage by graphitic carbon nitride nanotubes Int J Hydrogen Energy 37 2012 4170 4178
2. A. Allouche, and P.S. Krstic Atomic hydrogen adsorption on lithium-doped graphite surfaces Carbon 50 2012 510 517
3. B. Chakraborty, P. Modak, and S. Banerjee Hydrogen storage in Yttrium-decorated single walled carbon nanotube J Phys Chem C 116 2012 22502 22508
4. H. Zhang, M. Zhao, H. Bu, X. He, M. Zhang, and L. Zhao Ultra-high hydrogen storage capacity of Li-decorated graphyne: a first-principles prediction J Appl Phys 112 2012 084305-1-5
5. L.Y. Antipina, P.V. Avramov, S. Sakai, H. Naramoto, M. Ohtomo, and S. Entani High hydrogen-adsorption-rate material based on graphane decorated with alkali metals Phys Rev B 86 2012 085435-1-7
6. Y. Li, G. Zhao, C. Liu, Y. Wang, J. Sun, and Y. Gu The structural and electronic properties of Li-doped fluorinated graphene and its application to hydrogen storage Int J Hydrogen Energy 37 2012 5754 5761
7. C. Vallés, J.D. Núnez, A.M. Benito, and W.K. Maser Flexible conductive graphene paper obtained by direct and gentle annealing of graphene oxide paper Carbon 50 2012 835 844
8. Y. Gao, N. Zhao, J. Li, E. Liu, C. He, and C. Shi Hydrogen spillover storage on Ca-decorated grapheme Int J Hydrogen Energy 37 2012 11835 11841
9. L. Wang, and R.T. Yang Molecular hydrogen and spiltover hydrogen storage on high surface area carbon sorbents Carbon 50 2012 3134 3140
10. H.J. Hwang, Y. Kwon, and H. Lee Thermodynamically stable calcium-decorated graphyne as a hydrogen storage medium J Phys Chem C 116 2012 20220 20224
11. L.J. Peng, and J.R. Morris Structure and hydrogen adsorption properties of low density nanoporous carbons from simulations Carbon 50 2012 1394 1406
12. V.B. Parambhath, R. Nagar, and S. Ramaprabhu Effect of nitrogen doping on hydrogen storage capacity of palladium decorated grapheme Langmuir 28 2012 7826 7833
13. A. Allouche, and P.S. Krstic The effect of surface oxidation on atomic hydrogen adsorption on lithium-doped graphite surfaces Carbon 50 2012 3882 3888
14. Y. Liu, C.M. Brown, D.A. Neumann, D.B. Geohegan, A.A. Puretzky, and C.M. Rouleau Metal-assisted hydrogen storage on Pt-decorated single-walled carbon nanohorns Carbon 50 2012 4953 4964
15. I. Lopez-Corral, E. German, A. Juan, M.A. Volpe, and G.P. Brizuela Hydrogen adsorption on palladium dimer decorated graphene: a bonding study Int J Hydrogen Energy 37 2012 6653 6665
16. A.C. Dillon, K.M. Jones, T.A. Bekkedahl, C.H. Kiang, D.S. Bethune, and M.J. Heben Storage of hydrogen in single-walled carbon nanotubes Nature 386 1997 377 379
17. C. Liu, and H.M. Cheng Carbon nanotubes for clean energy applications J Phys D: Appl Phys 38 2005 R231 R255
18. U.S. department of energy: energy efficiency & renewable energy 2009 www1.eere.energy.gov/hydrogen and fuelcells/storage/targets for on board hydrogen storage systems for light-duty vehicles [accessed 12.10.12]
19. C. Liu, Y.Y. Fan, M. Liu, H.T. Cong, H.M. Cheng, and M.S. Dresselhaus Hydrogen storage in single-walled carbon nanotubes at room temperature Science 286 1999 1127 1129
20. Z.H. Zhu, G.Q. Lu, and S.C. Smith Comparative study of hydrogen storage in Li- and K-doped carbon materials - theoretically revisited Carbon 42 2004 2509 2514
21. M. Ni, L. Huang, L. Guo, and Z. Zeng Hydrogen storage in Li-doped single-walled carbon nanotubes Int J Hydrogen Energy 35 2010 3546 3549
22. T. Yildrim, and S. Ciraci Titanium-decorated carbon nanotubes as a potential high-capacity hydrogen storage medium Phys Rev Lett 94 2005 175501-1-4
23. E. Durgun, S. Ciraci, and T. Yildirim Functionalization of carbon-based nanostructures with light transition-metal atoms for hydrogen storage Phys Rev B 77 2008 085405-1-9
24. P.O. Krasnov, F. Ding, A.K. Sing, and B.I. Yakobson Clustering of Sc on SWCNT and reduction of hydrogen uptake: Ab-initio all-electron calculations J Phys Chem C 111 2007 17977 17980
25. A.G. Lipson, B.F. Lyakhov, E.I. Saunin, L.N. Solodkova, and A.Y. Tsivadze Hydrogen transport in single-walled carbon nanotubes encapsulated by palladium Int J Hydrogen Energy 37 2012 5676 5685
26. 2 adsorption on Pd-decorated single walled carbon nanotubes with C-vacancies Int J Hydrogen Energy 37 2012 10156 10164
27. Y. Suttisawat, P. Rangsunvigit, B. Kitiyanan, M. Williams, P. Ndungu, and M.V. Lototskyy Investigation of hydrogen storage capacity of multi-walled carbon nanotubes deposited with Pd or V Int J Hydrogen Energy 34 2009 6669 6675
28. S. Park, and S. Lee Hydrogen storage behaviors of platinum-supported multi-walled carbon nanotubes Int J Hydrogen Energy 35 2010 13048 13054
29. H. Lee, J. Ihm, M.L. Cohen, and S.G. Louie Calcium-decorated carbon nanotubes for high-capacity hydrogen storage: first-principles calculations Phys Rev B 80 2009 115412-1-5
30. A. Reyhani, S.Z. Mortazavi, S. Mirershadi, A.Z. Moshfegh, P. Parvin, and A.N. Golikand Hydrogen storage in decorated multiwalled carbon nanotubes by Ca, Co, Fe, Ni, and Pd nanoparticles under ambient conditions J Phys Chem C 115 2011 6994 7001
31. 2 Int J Hydrogen Energy 35 2010 2368 2376
32. K. Iyakutti, Y. Kawazoe, M. Rajarajeswari, and V.J. Surya Aluminum hydride coated single-walled carbon nanotubes as a hydrogen storage medium Int J Hydrogen Energy 34 2009 370 375
33. D. Silambarasan, V.J. Surya, V. Vasu, and K. Iyakutti Experimental investigation of hydrogen storage in single walled carbon nanotubes functionalized with borane Int J Hydrogen Energy 36 2011 3574 3579
34. 2 coated single walled carbon nanotubes for hydrogen storage Int J Hydrogen Energy 36 2011 3007 3015
35. J.W. Lee, H.S. Kim, J.Y. Lee, and J.K. Kang Hydrogen storage and desorption properties of Ni-dispersed carbon nanotubes Appl Phys Lett 88 2006 143126-1-3
36. K. Lin, W. Tsai, and J. Chang Decorating carbon nanotubes with Ni particles using an electroless deposition technique for hydrogen storage applications Int J Hydrogen Energy 35 2010 7555 7562
37. C. Yang, Y.J. Li, and W. Chen Electrochemical hydrogen storage behavior of single-walled carbon nanotubes (SWCNTs) coated with Ni nanoparticles Int J Hydrogen Energy 35 2010 2336 2343
38. M.Z. Figueroa-Torres, C. DomInguez-RIos, J.G. Cabanas-Moreno, O. Vega-Becerra, and A. Aguilar-Elguezabal The synthesis of Ni-activated carbon nanocomposites via electroless deposition without a surface pretreatment as potential hydrogen storage materials Int J Hydrogen Energy 37 2012 10743 10749
39. N. Wang, Z.K. Tang, G.D. Li, and J.S. Chen Materials science: single-walled 4 Å carbon nanotube arrays Nature 408 2000 50 51
40. 2 on 4 Å carbon nanotubes J Appl Phys 103 2008 016106-1-3
41. B. Delley An all-electron numerical method for solving the local density functional for polyatomic molecules J Chem Phys 92 1990 508-1-10
42. Peng Wei, Lili Sun, Enrico Benassi, Ziyong Shen, Stefano Sanvito, and Shimin Hou Spin transport properties of single metallocene molecules attached to single-walled carbon nanotubes via nickel adatoms J Chem Phys 134 2011 244704-1-8