92
8 Chemisorption
9. Kim Y-H, Zhao Y, Williamson A, Heben MJ, Zhang SB (2006) Nondissociative adsorption of
H 2 molecules in light-element-doped fullerenes. Phys Rev Lett 96(1):016102
10. Guo T, Jin C, Smalley RE (1991) Doping bucky: formation and properties of boron-doped
buckminsterfullerene. J Phys Chem 95(13):4948–4950
11. Wang Z, Yao M, Pan S, Jin M, Liu B, Zhang H (2007) A barrierless process from physisorption to chemisorption of H2 molecules on light-element-doped fullerenes. J Phys Chem C
111(11):4473–4476
12. Shin WH, Yang SH, Goddard Iii WA, Kang JK (2006) Ni-dispersed fullerenes: hydrogen
storage and desorption properties. Appl Phys Lett 88(5):053111
13. Yoon M, Yang S, Wang E, Zhang Z (2007) Charged fullerenes as high-capacity hydrogen
storage media. Nano Lett 7(9):2578–2583. https://doi.org/10.1021/nl070809a
14. Ren H, Cui C, Li X, Liu Y (2017) A DFT study of the hydrogen storage potentials and properties
of Na-and Li-doped fullerenes. Int J Hydrogen Energy 42(1):312–321
15. Nikitin A, Li X, Zhang Z, Ogasawara H, Dai H, Nilsson A (2008) Hydrogen Storage in Carbon
Nanotubes through the Formation of Stable C−H Bonds. Nano Lett 8(1):162–167. https://doi.
org/10.1021/nl072325k
16. Chan S-P, Chen G, Gong XG, Liu Z-F (2001) Chemisorption of hydrogen molecules on carbon
nanotubes under high pressure. Phys Rev Lett 87(20):205502
17. Lee SM, An KH, Lee YH, Seifert G, Frauenheim T (2001) A hydrogen storage mechanism in
single-walled carbon nanotubes. J Am Chem Soc 123(21):5059–5063
18. Lee SM, Lee YH (2000) Hydrogen storage in single-walled carbon nanotubes. Appl Phys Lett
76(20):2877–2879
19. Ioannatos GE, Verykios XE (2010) H2 storage on single-and multi-walled carbon nanotubes.
Int J Hydrogen Energy 35(2):622–628
20. Rather Su (2020) Preparation, characterization and hydrogen storage studies of carbon
nanotubes and their composites: a review. Int J Hydrogen Energy 45(7):4653–4672. https://
doi.org/10.1016/j.ijhydene.2019.12.055
21. Dinadayalane TC, Kaczmarek A, Łukaszewicz J, Leszczynski J (2007) Chemisorption of
hydrogen atoms on the sidewalls of armchair single-walled carbon nanotubes. J Phys Chem C
111(20):7376–7383. https://doi.org/10.1021/jp066469j
22. Hod O, Barone V, Peralta JE, Scuseria GE (2007) Enhanced Half-Metallicity in Edge-Oxidized
Zigzag Graphene Nanoribbons. Nano Lett 7(8):2295–2299. https://doi.org/10.1021/nl0708922
23. Ataca C, Aktürk E, Ciraci S (2009) Hydrogen storage of calcium atoms adsorbed on graphene:
first-principles plane wave calculations. Phys Rev B 79(4):041406
24. Zhang J, Yan Y, Zong W, Li A, Qiao Z, Sun T (2017) Chemisorption of hydrogen on graphene:
insights from atomistic simulations. J Phys: Condens Matter 29(19):195001. https://doi.org/
10.1088/1361-648x/aa691a
25. Miwa RH, Martins TB, Fazzio A (2008) Hydrogen adsorption on boron doped graphene:
anab initiostudy. Nanotechnology 19(15):155708. https://doi.org/10.1088/0957-4484/19/15/
155708
26. Kim G, Jhi S-H (2009) Ca-Decorated Graphene-Based Three-Dimensional Structures for HighCapacity Hydrogen Storage. J Phys Chem C 113(47):20499–20503. https://doi.org/10.1021/
jp907368t
27. Kumar D, Govindaraja T, Krishnamurty S, Kaliaperumal S, Pal S (2018) Dissociative
chemisorption of hydrogen molecules on defective graphene-supported aluminium clusters:
a computational study. Phys Chem Chem Phys 20(41):26506–26512. https://doi.org/10.1039/
C8CP05711G
28. Hernández-Hernández A, Vallejo E, Martínez-Farías F, Pelayo JJ, Hernández-Hernández LA,
Pescador-Rojas JA, Tamayo-Rivera L, Morales-Peñaloza A, López-Pérez PA, Cortes ER (2018)
Changes to the dissociation barrier of H2 due to buckling induced by a chemisorbed hydrogen
on a doped graphene surface. J Mol Model 24(9):244. https://doi.org/10.1007/s00894-0183763-z
29. Sahaym U, Norton MG (2008) Advances in the application of nanotechnology in enabling a
‘hydrogen economy.’ J Mater Sci 43(16):5395–5429
8 Chemisorption
9. Kim Y-H, Zhao Y, Williamson A, Heben MJ, Zhang SB (2006) Nondissociative adsorption of
H 2 molecules in light-element-doped fullerenes. Phys Rev Lett 96(1):016102
10. Guo T, Jin C, Smalley RE (1991) Doping bucky: formation and properties of boron-doped
buckminsterfullerene. J Phys Chem 95(13):4948–4950
11. Wang Z, Yao M, Pan S, Jin M, Liu B, Zhang H (2007) A barrierless process from physisorption to chemisorption of H2 molecules on light-element-doped fullerenes. J Phys Chem C
111(11):4473–4476
12. Shin WH, Yang SH, Goddard Iii WA, Kang JK (2006) Ni-dispersed fullerenes: hydrogen
storage and desorption properties. Appl Phys Lett 88(5):053111
13. Yoon M, Yang S, Wang E, Zhang Z (2007) Charged fullerenes as high-capacity hydrogen
storage media. Nano Lett 7(9):2578–2583. https://doi.org/10.1021/nl070809a
14. Ren H, Cui C, Li X, Liu Y (2017) A DFT study of the hydrogen storage potentials and properties
of Na-and Li-doped fullerenes. Int J Hydrogen Energy 42(1):312–321
15. Nikitin A, Li X, Zhang Z, Ogasawara H, Dai H, Nilsson A (2008) Hydrogen Storage in Carbon
Nanotubes through the Formation of Stable C−H Bonds. Nano Lett 8(1):162–167. https://doi.
org/10.1021/nl072325k
16. Chan S-P, Chen G, Gong XG, Liu Z-F (2001) Chemisorption of hydrogen molecules on carbon
nanotubes under high pressure. Phys Rev Lett 87(20):205502
17. Lee SM, An KH, Lee YH, Seifert G, Frauenheim T (2001) A hydrogen storage mechanism in
single-walled carbon nanotubes. J Am Chem Soc 123(21):5059–5063
18. Lee SM, Lee YH (2000) Hydrogen storage in single-walled carbon nanotubes. Appl Phys Lett
76(20):2877–2879
19. Ioannatos GE, Verykios XE (2010) H2 storage on single-and multi-walled carbon nanotubes.
Int J Hydrogen Energy 35(2):622–628
20. Rather Su (2020) Preparation, characterization and hydrogen storage studies of carbon
nanotubes and their composites: a review. Int J Hydrogen Energy 45(7):4653–4672. https://
doi.org/10.1016/j.ijhydene.2019.12.055
21. Dinadayalane TC, Kaczmarek A, Łukaszewicz J, Leszczynski J (2007) Chemisorption of
hydrogen atoms on the sidewalls of armchair single-walled carbon nanotubes. J Phys Chem C
111(20):7376–7383. https://doi.org/10.1021/jp066469j
22. Hod O, Barone V, Peralta JE, Scuseria GE (2007) Enhanced Half-Metallicity in Edge-Oxidized
Zigzag Graphene Nanoribbons. Nano Lett 7(8):2295–2299. https://doi.org/10.1021/nl0708922
23. Ataca C, Aktürk E, Ciraci S (2009) Hydrogen storage of calcium atoms adsorbed on graphene:
first-principles plane wave calculations. Phys Rev B 79(4):041406
24. Zhang J, Yan Y, Zong W, Li A, Qiao Z, Sun T (2017) Chemisorption of hydrogen on graphene:
insights from atomistic simulations. J Phys: Condens Matter 29(19):195001. https://doi.org/
10.1088/1361-648x/aa691a
25. Miwa RH, Martins TB, Fazzio A (2008) Hydrogen adsorption on boron doped graphene:
anab initiostudy. Nanotechnology 19(15):155708. https://doi.org/10.1088/0957-4484/19/15/
155708
26. Kim G, Jhi S-H (2009) Ca-Decorated Graphene-Based Three-Dimensional Structures for HighCapacity Hydrogen Storage. J Phys Chem C 113(47):20499–20503. https://doi.org/10.1021/
jp907368t
27. Kumar D, Govindaraja T, Krishnamurty S, Kaliaperumal S, Pal S (2018) Dissociative
chemisorption of hydrogen molecules on defective graphene-supported aluminium clusters:
a computational study. Phys Chem Chem Phys 20(41):26506–26512. https://doi.org/10.1039/
C8CP05711G
28. Hernández-Hernández A, Vallejo E, Martínez-Farías F, Pelayo JJ, Hernández-Hernández LA,
Pescador-Rojas JA, Tamayo-Rivera L, Morales-Peñaloza A, López-Pérez PA, Cortes ER (2018)
Changes to the dissociation barrier of H2 due to buckling induced by a chemisorbed hydrogen
on a doped graphene surface. J Mol Model 24(9):244. https://doi.org/10.1007/s00894-0183763-z
29. Sahaym U, Norton MG (2008) Advances in the application of nanotechnology in enabling a
‘hydrogen economy.’ J Mater Sci 43(16):5395–5429