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The Monte Carlo method of grand canonical ensemble is used to simulate the adsorption process of hydrogen storage in carbon nanotube. Results show that the hydrogen storage capacity of (30,30) armchair carbon nanotubes is 3.74 wt% at 77 K and 2 MPa and at 77 K 7.4 wt% and 10 MPa. H2 molecules are distributed mainly at the surface of carbon nanotube.
[1] Chen P, Xiong Z, Luo J, Lin J, Tan K L 2002 Nature 420 301
[2] Schlapbach L, Züttel A 2001 Nature 414 353
[3] Yang Q Y, Zhong C L 2005 J. Phys. Chem. B 109 11862
[4] Jung D H, Kim D, Lee T B, Choi S B, Yoon J H, Kim J, Choi K, Choi S H 2006 J. Phys. Chem. B 110 22987
[5] Dinca M, Yu A F, Long J R 2006 J. Am. Chem. Soc. 128 8904
[6] Ward M D 2003 Science 300 1104
[7] XuW, Tao Z L, Chen J 2006 Prog. Chem. 18 200 (in Chinese) [许炜, 陶占良, 陈军 2006 化学进展 18 200]
[8] Cao D, Feng P, Wu J 2004 Nano Lett. 4 1489
[9] Pan L, Sander M B, Huang X, Li J, Smith M, Bittner E, Bockrath B 2004 J. Am. Chem. Soc. 126 1308
[10] Zheng H, Wang S Q, Cheng H M 2005 Acta Phys. Sin. 54 4852 (in Chinese) [郑宏, 王绍青, 成会明 2005 54 4852 ]
[11] Yi S P, Zhang H Y, Ouyang Y, Wang Y H, Pang J S 2006 Acta Phys. Sin. 55 2644 (in Chinese) [易双萍, 张海燕, 欧阳玉, 王银海, 庞晋山 2006 55 2644]
[12] Zhang X L, Huang Z, Chen B, Ma H F, Gao G Q 2007 Acta Phys. Sin. 56 4039 (in Chinese) [张秀兰, 黄整, 陈波, 麻焕锋, 高国强 2007 56 4039 ]
[13] Dai W, Tang Y J, Wang C Y, Sun W G 2009 Acta Phys. Sin. 58 7313 (in Chinese) [戴伟, 唐永建, 王朝阳, 孙卫国 2009 58 7313]
[14] Dai W, Luo J S, Tang Y J, Wang C Y, Chen S J, Sun W G 2009 Acta Phys. Sin. 58 1890 (in Chinese) [戴伟, 罗江山, 唐永建, 王朝阳, 陈善俊, 孙卫国 2009 58 1890]
[15] Shao X H, Wang W C, Xue R S, Shen Z M 2004 J. Phys. Chem. B 108 2970
[16] Kabbour H, Bumann T F, Satcher J H, Saulnier A, Ahn C C 2006 Chem. Mater. 18 6085.
[17] Kowalczyk P, Holyst R, Terrones M, Terrones H 2007 Phys. Chem. Chem. Phys. 9 1786
[18] Chambers A, Park C, Terry R, Baker K, Rodriguez M N 1998 J. Phys. Chem. B 102 4253
[19] Chen P, Wu X, Lin J, Tan K L 1999 Science 285 91
[20] Dillon A C, Jones K M, Bekkedahl T A, Kiang C H, Bethune D S, Heben M J 1997 Nature 386 377
[21] Ritschel M, Uhlemann M, Gutfleisch O, Leonhardt A, Graff A 2002 Appl. Phys. Lett. 80 2985
[22] Bezus A G, Kiselev A V, LoPatkin A A, Du P 1978 J. Chem. Soc. 74 367
[23] Kiselev A V, LoPatkin A A, Shulga A A 1985 Zeolites 5 261
[24] Vlugt T J H, Krishna R, Smit B 1999 J. Phys. Chem. B 103 1102
[25] Halgren T A 1992 J. Am. Chem. Soc. 114 7827
[26] Cheng J, Yuan X, Zhao L, Huang D, Zhao M, Dai L, Ding R 2004 Carbon 42 2019
[27] Cheng J, Zhang L, Ding R, Ding Z, Wang X, Wang Z 2007 Int. J. Hydrogen Energy 32 3402
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[1] Chen P, Xiong Z, Luo J, Lin J, Tan K L 2002 Nature 420 301
[2] Schlapbach L, Züttel A 2001 Nature 414 353
[3] Yang Q Y, Zhong C L 2005 J. Phys. Chem. B 109 11862
[4] Jung D H, Kim D, Lee T B, Choi S B, Yoon J H, Kim J, Choi K, Choi S H 2006 J. Phys. Chem. B 110 22987
[5] Dinca M, Yu A F, Long J R 2006 J. Am. Chem. Soc. 128 8904
[6] Ward M D 2003 Science 300 1104
[7] XuW, Tao Z L, Chen J 2006 Prog. Chem. 18 200 (in Chinese) [许炜, 陶占良, 陈军 2006 化学进展 18 200]
[8] Cao D, Feng P, Wu J 2004 Nano Lett. 4 1489
[9] Pan L, Sander M B, Huang X, Li J, Smith M, Bittner E, Bockrath B 2004 J. Am. Chem. Soc. 126 1308
[10] Zheng H, Wang S Q, Cheng H M 2005 Acta Phys. Sin. 54 4852 (in Chinese) [郑宏, 王绍青, 成会明 2005 54 4852 ]
[11] Yi S P, Zhang H Y, Ouyang Y, Wang Y H, Pang J S 2006 Acta Phys. Sin. 55 2644 (in Chinese) [易双萍, 张海燕, 欧阳玉, 王银海, 庞晋山 2006 55 2644]
[12] Zhang X L, Huang Z, Chen B, Ma H F, Gao G Q 2007 Acta Phys. Sin. 56 4039 (in Chinese) [张秀兰, 黄整, 陈波, 麻焕锋, 高国强 2007 56 4039 ]
[13] Dai W, Tang Y J, Wang C Y, Sun W G 2009 Acta Phys. Sin. 58 7313 (in Chinese) [戴伟, 唐永建, 王朝阳, 孙卫国 2009 58 7313]
[14] Dai W, Luo J S, Tang Y J, Wang C Y, Chen S J, Sun W G 2009 Acta Phys. Sin. 58 1890 (in Chinese) [戴伟, 罗江山, 唐永建, 王朝阳, 陈善俊, 孙卫国 2009 58 1890]
[15] Shao X H, Wang W C, Xue R S, Shen Z M 2004 J. Phys. Chem. B 108 2970
[16] Kabbour H, Bumann T F, Satcher J H, Saulnier A, Ahn C C 2006 Chem. Mater. 18 6085.
[17] Kowalczyk P, Holyst R, Terrones M, Terrones H 2007 Phys. Chem. Chem. Phys. 9 1786
[18] Chambers A, Park C, Terry R, Baker K, Rodriguez M N 1998 J. Phys. Chem. B 102 4253
[19] Chen P, Wu X, Lin J, Tan K L 1999 Science 285 91
[20] Dillon A C, Jones K M, Bekkedahl T A, Kiang C H, Bethune D S, Heben M J 1997 Nature 386 377
[21] Ritschel M, Uhlemann M, Gutfleisch O, Leonhardt A, Graff A 2002 Appl. Phys. Lett. 80 2985
[22] Bezus A G, Kiselev A V, LoPatkin A A, Du P 1978 J. Chem. Soc. 74 367
[23] Kiselev A V, LoPatkin A A, Shulga A A 1985 Zeolites 5 261
[24] Vlugt T J H, Krishna R, Smit B 1999 J. Phys. Chem. B 103 1102
[25] Halgren T A 1992 J. Am. Chem. Soc. 114 7827
[26] Cheng J, Yuan X, Zhao L, Huang D, Zhao M, Dai L, Ding R 2004 Carbon 42 2019
[27] Cheng J, Zhang L, Ding R, Ding Z, Wang X, Wang Z 2007 Int. J. Hydrogen Energy 32 3402
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