Hydrogen storage on platinum-decorated carbon nanotubes with boron, nitrogen dopants or sidewall vacancies

Journal of Nano Research

Volumn 15, Issue , 2011, Pages 29-40

  Zhou, Jian Ge ^a   Williams, Quinton L ^a  

^a Jackson State University   (United States)

Author keywords

Carbon nanotubes; Dopants; Hydrogen storage; Transition metal

Indexed keywords

ADSORPTION PATTERNS; AMBIENT CONDITIONS; FIRST PRINCIPLE CALCULATIONS; HYDROGEN MOLECULE; NITROGEN DOPANT; PARTIAL DENSITY OF STATE; PT ATOMS;

ADSORPTION; ATOMS; BINDING ENERGY; BORON; BORON COMPOUNDS; CARBON; CARBON NANOTUBES; DOPING (ADDITIVES); HYDROGEN; MOLECULES; PLATINUM; TRANSITION METALS;

HYDROGEN STORAGE;

EID: 80053464454     PISSN: 16625250     EISSN: 16619897     Source Type: Journal    
DOI: 10.4028/www.scientific.net/JNanoR.15.29     Document Type: Article

References (47)

1. R. Coontz, B. Hanson, Introduction: Not so simple, Science 305 (2004) 957.
2. C. Crabtree, M. Dresselhaus, M. Buchanan, The hydrogen economy, Phys. Today 57 (2004) 39-44. (Pubitemid 40020951)
3. S. Banerjee, S. Murad, I. Puri, Hydrogen storage in carbon nanostructures: Possibilities and challenges for fundamental molecular simulations, Proc. IEEE 94 (2006) 1806-1814. (Pubitemid 46438144)
4. A. Dillon, K. Jones, T. Bekkedahl, C. Kiang, D. Bethune, M. Heben, Storage of hydrogen in single-walled carbon nanotubes, Nature (London) 386 (1997) 377-9. (Pubitemid 27154473)
5. Y. Ye, C. Ahn, C. Witham, B. Fultz, Hydrogen adsorption and cohesive energy of single-walled carbon nanotubes, Appl. Phys. Lett. 74 (1999) 2307-9. (Pubitemid 129310428)
6. C. Liu, Y. Fan, M. Liu, H. Cong, H. Cheng, M. Dresselhaus, Hydrogen storage in single-walled carbon nanotubes at room temperature, Science 286 (1999) 1127-9.
7. A. Nikitin, X. Li, Z. Zhang, H. Ogasawara, H. Dai, A. Nilsson, Hydrogen storage in carbon nanotubes through the formation of stable C-H bonds, Nano Lett. 8 (2008) 162-7. (Pubitemid 351177794)
8. 2 uptake by alkali-doped carbon nanotubes under ambient pressure and moderate temperatures, Science 285 (1999) 91-3. (Pubitemid 29307571)
9. R. Yang, Hydrogen storage by alkali-doped carbon nanotubes - revisited, Carbon 38 (2000) 623-6. (Pubitemid 30567536)
10. F. Pinkerton, B. Wicke, C. Olk, G. Tibbetts, G. Meisner, M. Meyer, J. Herbst, Thermogravimetric measurement of hydrogen absorption in alkali-modified carbon materials, J. Phys. Chem. B 104 (2000) 9460-7.
11. H. Kim, H. Lee, K. Han, J. Kim, M. Song, Hydrogen storage in Ni nanoparticle-dispersed multiwalled carbon nanotubes, J. Phys. Chem. B 109 (2005) 8983-6.
12. Z. Renju, K. Young, F. Kibria, N. Suk, Enhancement of hydrogen storage capacity of carbon nanotubes via spill-over from vanadium and palladium nanoparticles, Chem. Phys. Lett. 412 (2005) 369-75.
13. R. Zacharia, S. Rather, S. Hwang, K. Nahm, Spillover of physisorbed hydrogen from sputter-deposited arrays of platinum nanoparticles to multi-walled carbon nanotubes, Chem. Phys. Lett. 434 (2007) 286-91. (Pubitemid 46096908)
14. S. Rather, R. Zacharia, S. Hwang, M. Naik, K. Nahm, Hydrogen uptake of palladium-embedded MWCNTs produced by impregnation and condensed phase reduction method, Chem. Phys. Lett. 441 (2007) 261-7. (Pubitemid 46907058)
15. A. Lipson, B. Lyakhov, A. Tsivadze, Evidence for large hydrogen storage capacity in single-walled carbon nanotubes encapsulated by electroplating Pd onto a Pd substrate, Phys. Rev. B 77 (2008) 081405.
16. S. Dag, Y. Ozturk, S. Ciraci, T. Yildirim, Adsorption and dissociation of hydrogen molecules on bare and functionalized carbon nanotubes, Phys. Rev. B 72 (2005) 155404.
17. T. Yildirim, S. Ciraci, Titanium-decorated carbon nanotubes as a potential high-capacity hydrogen storage medium, Phys. Rev. Lett. 94 (2005) 175501.
18. L. Miao, V. Bhethanabotla, M. Ossowski, B. Joseph, Interactions of hydrogen with Pd and Pd/Ni alloy chain-functionalized single walled carbon nanotubes from density functional theory, J. Phys. Chem. B 110 (2006) 22415-25. (Pubitemid 44787562)
19. E. Durgun, S. Ciraci, T. Yildirim, Functionalization of carbon-based nanostructures with light transition metal atoms for hydrogen storage, Phys. Rev. B 77 (2008) 085405.
20. H. Xiao, S. Li, J. Cao, First-principles study of Pd-decorated carbon nanotube for hydrogen storage, Chem. Phys. Lett. 483 (2009) 111-4.
21. W. Liu, Y. Zhao, Y. Li, Q. Jiang, E. Lavernia, Enhanced hydrogen storage on Li-dispersed carbon nanotubes, J. Phys. Chem. C 113 (2009) 2028-33.
22. M. Terrones, A. Jorio, M. Endo, A. Rao, Y. Kim, T. Hayashi, New direction in nanotube science, Mater. Today 7 (2004) 30-45. (Pubitemid 40708973)
23. Y. Zhang, D. Zhang, C. Liu, Novel chemical sensor for cyanides: boron-doped carbon nanotubes, J. Phys. Chem. B 110 (2006) 4671-4.
24. M. Sankaran, B. Viswanathan, Hydrogen storage in boron substituted carbon nanotubes, Carbon 45 (2007) 1628-35. (Pubitemid 46990366)
25. M. Sankaran, B. Viswanathan, S. Murthy, Boron substituted carbon nanotubes - How appropriate are they for hydrogen storage?, Int. J. Hydrogen Energy 33 (2008) 393-403.
26. Z. Zhou, X. Gao, J. Yan, D. Song, Doping effects of B and N on hydrogen adsorption in single-walled carbon nanotubes through density functional calculations, Carbon 44 (2006) 939-47. (Pubitemid 43064010)
27. Z. Zhang, K. Cho, Ab initio study of hydrogen interaction with pure and nitrogen-doped carbon nanotubes, Phys. Rev. B 75 (2007) 075420.
28. E. Rangel, G. Ruiz-Chavarria, L. Magana, J. Arellano, Hydrogen adsorption on N-decorated single wall carbon nanotubes, Phys. Lett. A 373 (2009) 2588-91.
29. W. An, C. Turner, Electronic structure calculations of gas adsorption on boron-doped carbon nanotubes sensitized with tungsten, Chem. Phys. Lett. 482 (2009) 274-80.
30. W. An, C. Turner, Chemisorption of transition-metal atoms on boron- and nitrogen-doped carbon nanotubes: energetics and geometric and electronic structures, J. Phys. Chem. C 113 (2009) 7069-78.
31. W. An, C. Turner, Transition-metal strings templated on boron-doped carbon nanotubes: a DFT investigation, J. Phys. Chem. C 113 (2009) 15346-54.
32. Y. Li, T. Hung, C. Chen, A first-principles study of nitrogen- and boron-assisted platinum adsorption on carbon nanotubes, Carbon 47 (2009) 850-5.
33. B. Zhou, W. Guo, Y. Dai, Chemisorption of hydrogen molecule on axially strained (8, 0) carbon nanotube, J. Phys. Chem. C 112 (2008) 18516-20.
34. C. Sun, L. Chen, M. Su, L. Hong, O. Chyan, Ultrafine platinum nanoparticles uniformly dispersed on arrayed CNx nanotubes with high electrochemical activity, Chem. Mater. 17 (2005) 3749-53. (Pubitemid 41048810)
35. J. Li, T. Furuta, H. Goto, T. Ohashi, Y. Fujiwara, S. Yip, Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures, J. Chem. Phys. 119 (2003) 2376-85.
36. G. Kresse, J. Hafner, Ab initio molecular dynamics of liquid metals, Phys. Rev. B 47 (1993) 558-61.
37. G. Kresse, J. Furtmuller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B 54 (1996) 11169-86.
38. G. Kresse, J. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method, Phys. Rev. B 59 (1999) 1758-75.
39. P. Blochl, Projector augmented-wave method, Phys. Rev. B 50 (1994) 17953-79.
40. J. Perdew, Y. Wang, Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation, Phys. Rev. B 46 (1992) 6671-87.
41. I. Cabria, M. Lopez, J. Alonso, Enhancement of hydrogen physisorption on graphene and carbon nanotubes by Li doping, J. Chem. Phys. 123 (2005) 204721.
42. M. Yoon, S. Yang, E. Wang, Z. Zhang, Charged fullerenes as high-capacity hydrogen storage media, Nano. Lett. 7 (2007) 2578.
43. M. Cobian, J. Iniguez, Theoretical investigation of hydrogen storage in metal-intercalated graphitic materials, J. Phys.: Condens. Matter 20 (2008) 285212.
44. C. Ataca, E. Akturk, S. Ciraci, H. Ustunel, High-capacity hydrogen storage by metallized graphene, Appl. Phys. Lett. 93 (2008) 043123.
45. J. Zhou, Q. Williams, F. Hagelberg, Headgroup dimerization in methanethiol monolayers on the Au(111) surface: A density functional theory study, Phys. Rev. B 76 (2007) 075408.
46. P. de Andres, R. Ramirez, J. Verges, Strong covalent bonding between two graphene layers, Phys. Rev. B 77 (2008) 045403.
47. G. Kubas, Dihydrogen complexes as prototypes for the coordination chemistry of saturated molecules, Proc. Natl. Acad. Sci. 104 (2007) 6901-7. (Pubitemid 47185984)