Density functional theory calculations of the metal-doped carbon nanostructures as hydrogen storage systems under electric fields: A review

Frontiers of Physics

Volumn 6, Issue 2, 2011, Pages 162-176

  Zhang, Zhi wei ^a   Li, Jian chen ^a   Jiang, Qing ^a  

^a Jilin University   (China)

Author keywords

Electric field; First principles calculations; Hydrogen storage materials

Indexed keywords

EID: 84862943711     PISSN: 20950462     EISSN: 20950470     Source Type: Journal    
DOI: 10.1007/s11467-011-0174-3     Document Type: Review

References (115)

1. S.A. Shevlin and Z.X. Guo, Chem. Soc. Rev., 2009, 28(1): 211
2. A. Züttel, Mater. Today, 2003, 6(9): 24
3. R. Coontz and R. Hanson, Science, 2004, 305(5686): 957
4. A. Züttel and S. Orimo, MRS Bull., 2002, 27(9): 705
5. S. Banerjee, S. Murad, and I.K. Puri, Proc. IEEE, 2006, 94(10): 1806
6. Q. Sun, P. Jena, Q. Wang, and M.J. Marquez, J. Am. Chem. Soc., 2006, 128(30): 9741
7. J.F. Stampfer, C. E. Holley, and J. F. Suttle, J. Am. Chem. Soc., 1960, 82(14): 3504
8. S.H. Jhi, Phys. Rev. B, 2006, 74(15): 155424
9. G.E. Froudakis, Nano Lett., 2001, 1(10): 531
10. I. Cabria, M.J. López, and J.A. Alonso, J. Chem. Phys., 2005, 123(20): 204721
11. S.H. Jhi, Catal. Today, 2007, 120(3-4): 383
12. X.J. Wu, Y. Gao, and X.C. Zeng, J. Phys. Chem. C, 2008, 112(22): 8458
13. L. Chen, Y. Zhang, N. Koratkar, P. Jena, and S. K. Nayak, Phys. Rev. B, 2008, 77(3): 033405
14. C. Liu, Y.Y. Fan, M. Liu, H.T. Cong, H.M. Cheng, and M.S. Dresselhaus, Science, 1999, 286(5442): 1127
15. O.V. Pupysheva, A.A. Farajian, and B.I. Yakobson, Nano Lett., 2008, 8(3): 767
16. K.R.S. Chandrakumar and S.K. Ghosh, Nano Lett., 2008, 8(1): 13
17. M.I. Rojas and E.P.M. Leiva, Phys. Rev. B, 2007, 76(15): 155415
18. J.B. Oostinga, H.B. Heersche, X.L. Liu, A.F. Morpurgo, and L.M.K. Vandersypen, Nat. Mater., 2008, 7(2): 151
19. A.K. Geim and K.S. Novoselov, Nat. Mater., 2007, 6(3): 183
20. A. Lherbier, X. Blase, Y.M. Niquet, F. Triozon, and S. Roche, Phys. Rev. Lett., 2008, 101(3): 036808
21. L. Schlapbach and A. Züttel, Nature, 2001, 414(6861): 353
22. K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, and A.A. Firsov, Science, 2004, 306(5696): 666
23. S. Patchkovskii, J. S. Tse, S. N. Yurchenko, L. Zhechkov, T. Heine, and G. Seifert, Proc. Natl. Acad. Sci. USA, 2005, 102(30): 10439
24. E. Durgun, S. Ciraci, and T. Yildirim, Phys. Rev. B, 2008, 77(8): 085405
25. T. Roman, W.A. Dino, H. Nakanishi, H. Kasai, T. Sugi-moto, and K. Tange, Carbon, 2007, 45(1): 218
26. D. Li, M.B. Müller, S. Gilje, R.B. Kaner, and G.G. Wal lace, Nat. Nanotechnol., 2008, 3(2): 101
27. C. Lee, X. Wei, J. W. Kysar, and J. Hone, Science, 2008, 321(5887): 385
28. U. Sahaym and M.G. Norton, J. Mater. Sci., 2008, 43(16): 5395
29. S. Orimo, A. Züttel, L. Schlapbach, G. Majer, T. Fukunaga, and H. Fujii, J. Alloys Comp., 2003, 356: 716
30. W. Liu, Y. H. Zhao, Y. Li, Q. Jiang, and E. J. Lavernia, J. Phys. Chem. C, 2009, 113(5): 2028
31. E. Klontzas, A. Mavrandonakis, E. Tylianakis, and G. E. Froudakis, Nano Lett., 2008, 8(6): 1572
32. W.Q. Deng, X. Xu, and W.A. Goddard, Phys. Rev. Lett., 2004, 92(16): 166103
33. E. Durgun, S. Ciraci, W. Zhou, and T. Yildirim, Phys. Rev. Lett., 2006, 97(22): 226102
34. Z.M. Ao and F.M. Peeters, Phys. Rev. B, 2010, 81(20): 205406
35. Z.W. Zhang, J.C. Li, and Q. Jiang, J. Phys. Chem. C, 2010, 114(17): 7733
36. G. Mpourmpakis, E. Tylianakis, and G.E. Froudakis, Nano Lett., 2007, 7(7): 1893
37. A. Nikitin, X. Li, Z. Zhang, H. Ogasawara, H. Dai, and A. Nilsson, Nano Lett., 2008, 8(1): 162
38. C. Ataca, E. Akturk, S. Ciraci, and H. Ustunel, Appl. Phys. Lett., 2008, 93(4): 043123
39. Z.M. Ao, Q. Jiang, R.Q. Zhang, T.T. Tan, and S. Li, J. Appl. Phys., 2009, 105(7): 074307
40. P. Chen, X. Wu, J. Lin, and K.L. Tan, Science, 1999, 285(5424): 91
41. R.T. Yang, Carbon, 2000, 38(4): 623
42. F.E. Pinkerton, B.G. Wicke, C.H. Olk, G.G. Tibbetts, G.P. Meisner, M.S. Meyer, and J.F. Herbst, J. Phys. Chem. B, 2000, 104(40): 9460
43. T. Yildirim and S. Ciraci, Phys. Rev. Lett., 2005, 94(17): 175501
44. Z. Zhou, J.J. Zhao, X.P. Gao, Z.F. Chen, J. Yan, P.R. Schleyer, and M. Morinaga, Chem. Mater., 2005, 17(5): 992
45. S. Dag, Y. Ozturk, S. Ciraci, and T. Yildirim, Phys. Rev. B, 2005, 72(15): 155404
46. J. W. Lee, H. S. Kim, J. Y. Lee, and J.K. Kang, Appl. Phys. Lett., 2006, 88(14): 143126
47. Q. Sun, Q. Wang, P. Jena, and Y. Kawazoe, J. Am. Chem. Soc., 2005, 127(42): 14582
48. B. Huang, H. Lee, W. Duan, and J. Ihm, Appl. Phys. Lett., 2008, 93(6): 063107
49. S.S. Han and A. William, J. Am. Chem. Soc., 2007, 129(27): 8422
50. K.L. Mulfort and J.T.J. Hupp, J. Am. Chem. Soc., 2007, 129(31): 9604
51. D. Zhao, D. Yuan, and H. C. Zhou, Energy & Environ. Sci., 2008, 1: 222
52. E. Klontazas, A. Mavrandonakis, E. Tylianakis, and G. E. Froudakis, Nano Lett., 2008, 8(6): 1572
53. X. Li, A. Grubisic, S. T. Stokes, J. Cordes, G. F. Ganteför, K.H. Bowen, B. Kiran, M. Willis, P. Jena, R. Burgert, and H. Schnöckel, Science, 2007, 315(5810): 356
54. C. Cento, P. Gislon, M. Bilgili, A. Masci, Q. Zheng, and P.P. Prosini, J. Alloys Comp., 2007, 437(1-2): 360
55. A. L. L. Dehouche, N. Grimard, J. Goyette, and R. Chahine, Nanotechnology, 2005, 16(4): 402
56. P.A. Berseth, A.G. Harter, R. Zidan, A. Blomqvist, C.M. Araújo, R.H. Scheicher, R. Ahuja, and P. Jena, Nano Lett., 2009, 9(4): 1501
57. C.H. Ahn, A. Bhattacharya, M. Di Ventra, J.N. Eckstein, C.D. Frisbie, M.E. Gershenson, A.M. Goldman, I.H. In-oue, J. Mannhart, D. Natelson, and J.M. Triscone, Rev. Mod. Phys., 2006, 78(4): 1185
58. L. Qiao, W.T. Zheng, Q.B. Wen, and Q. Jiang, Nanotech-nology, 2007, 18(15): 155707
59. M. Tomonari and O. Sugino, Chem. Phys. Lett., 2007, 437(4-6): 170
60. A. Migani, C. Sousa, F. Sanz, and F. Illas, Phys. Chem. Chem. Phys., 2005, 7(18): 3353
61. T. Ohta, A. Bostwick, T. Seyller, K. Horn, and E. Roten-berg, Science, 2006, 313(5789): 951
62. S. Zou and M. Weaver, J. Phys. Chem., 1996, 100(10): 4237
63. S. Zou and M. Weaver, Anal. Chem., 1998, 70(11): 2387
64. E.V. Castro, K.S. Novoselov, S.V. Morozov, N.M.R. Peres, J.M. dos Santos, J. Nilsson, F. Guinea, A.K. Geim, and A.H.C. Neto, Phys. Rev. Lett., 2007, 99(21): 216802
65. R.Q. Zhang, W.T. Zheng, and Q. Jiang, J. Phys. Chem. C, 2009, 113(24): 10384
66. W. Liu, Y. H. Zhao, Y. Li, E. J. Lavernia, and Q. Jiang, Phys. Chem. Chem. Phys., 2009, 11(40): 9233
67. W. Liu, Y.H. Zhao, J. Nguyen, Y. Li, Q. Jiang, and E. J. Lavernia, Carbon, 2009, 47(15): 3452
68. Z.M. Ao, W.T. Zheng, and Q. Jiang, Nanotechnology, 2008, 19(27): 275710
69. J. Zhou, Q. Wang, Q. Sun, P. Jena, and X.S. Chen, Proc. Natl. Acad. Sci. USA, 2010, 107(7): 2801
70. S. Gemming, T. Kunze, K. Morawetz, V. Pankoke, R. Luschtinetz, and G. Seifert, Eur. Phys. J. Spec. Top., 2009, 177(1): 83
71. H. Gronbeck, Top. Catal., 2004, 28(1-4): 59
72. P. Hohenberg and W. Kohn, Phys. Rev. B, 1964, 136: B864
73. G. Kresse and J. Fürthmuller, Comput. Mater. Sci., 1996, 6(1): 15
74. B. Delley, J. Chem. Phys., 1990, 92(1): 508
75. M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, and M.C. Payne, J. Phys.: Con-dens. Matter, 2002, 14(11): 2717
76. The help of the Materials Studio Modeling
77. B. Delley, J. Chem. Phys., 2000, 113(18): 7756
78. B.K. Rao and P. Jena, Europhys. Lett., 1992, 20(4): 307
79. M.Y. Ni, L.F. Huang, L.J. Guo, and Z. Zeng, Int. J. Hydrogen Energy, 2010, 35(8): 3546
80. A. Tokura, F. Maeda, Y. Teraoka, A. Yoshigoe, D. Takagi, Y. Homma, Y. Watanabe, and Y. Kobayashi, Carbon, 2008, 46(14): 1903
81. G.Y. Zhang, P.F. Qi, X.R. Wang, Y.R. Lu, D. Mann, X.L. Li, and H.J. Dai, J. Am. Chem. Soc., 2006, 128(18): 6026
82. B. Panella, K. Hones, U. Muller, N. Trukhan, M. Schubert, H. Putter, and M. Hirscher, Angew. Chem. Int. Ed., 2008, 47(11): 2138
83. A.F. Vilaplana, J. Phys. Chem. C, 2008, 112(10): 3998
84. D. Henwood and J.D. Carey, Phys. Rev. B, 2007, 75(24): 245413
85. J.S. Arellano, L.M. Molina, A. Rubio, and J.A. Alonso, J. Chem. Phys., 2000, 112(18): 8114
86. G.K. Dimitrakakis, E. Tylianakis, and G.E. Froudakis, Nano Lett., 2008, 8(10): 3166
87. M. Aertsens and J. Naudts, J. Stat. Phys., 1991, 62(3-4): 609
88. J. Graetz, S. Chaudhuri, Y. Lee, T. Vogt, J.T. Muckerman, and J.J. Reilly, Phys. Rev. B, 2006, 74(21): 214114
89. J. Li, T. Furuta, H. Goto, T. Ohashi, Y. Fujiwara, and S. Yip, J. Chem. Phys., 2003, 119(4): 2376
90. F. Schedin, A.K. Geim, S.V. Morozov, E.W. Hill, P. Blake, M.I. Katsnelson, and K.S. Novoselov, Nat. Mater., 2007, 6(9): 652
91. C. He, P. Zhang, Y.F. Zhu, and Q. Jiang, J. Phys. Chem. C, 2008, 112(24): 9045
92. Y.F. Zhao, Y.H. Kim, A.C. Dillon, M.J. Heben, and S.B. Zhang, Phys. Rev. Lett., 2005, 94: 155504
93. E. Durgun, Y.R. Jang, and S. Ciraci, Phys. Rev. B, 2007, 76(7): 073413
94. H. Lee, W.I. Choi, and J. Ihm, Phys. Rev. Lett., 2006, 97(5): 056104
95. G. Kim, S.H. Jhi, N. Park, S.G. Louie, and M.L. Cohen, Phys. Rev. B, 2008, 78(8): 085408
96. G. Kim, S.H. Jhi, and N. Park, Appl. Phys. Lett., 2008, 92(1): 013106
97. S.A. Shevlin and Z. X. Guo, J. Phys. Chem. C, 2008, 112(44): 17456
98. S. Meng, E. Kaxiras, and Z. Zhang, Nano Lett., 2007, 7(3): 663
99. G.J. Kubas, R.R. Ryan, B.I. Swanson, P.J. Vergamini, and H. J. Wasserman, J. Am. Chem. Soc., 1984, 106(2): 451
100. S. Barman, P. Sen, and G. P. Das, J. Phys. Chem. C, 2008, 112(50): 19963
101. G.J. Kubas, Acc. Chem. Res., 1988, 21(3): 120
102. J. Niu, B.K. Rao, and P. Jena, Phys. Rev. Lett., 1992, 68(15): 2277
103. M. Yoon, S.Y. Yang, C. Hicke, E. Wang, D. Geohegan, and Z.Y. Zhang, Phys. Rev. Lett., 2008, 100(20): 206806
104. Q. Sun, Q. Wang, and P. Jena, Appl. Phys. Lett., 2009, 94(1): 013111
105. A. Bhattacharya, S. Bhattacharya, C. Majumder, and G. P. Das, J. Phys. Chem. C, 2010, 114(22): 10297
106. Y.G. Zhou, X.T. Zu, F. Gao, J.L. Nie, and H.Y. Xiao, J. Appl. Phys., 2009, 105(1): 14309
107. L. Firlej, B. Kuchta, C. Wexler, and P. Pfeifer, Adsorption, 2009, 15(3): 312
108. H.L. Park and Y.C. Chung, Comput. Mater. Sci., 2010, 49(4): S297
109. S. Suzuki, M. Kushida, S. Amamiya, S. Okada, and K. Nakao, Chem. Phys. Lett., 2000, 327(5-6): 291
110. G.L. Lu, K.M. Deng, H.P. Wu, J.L. Yang, and X. Wang, J. Chem. Phys., 2006, 124(5): 054305
111. X.X. Wang, X.Y. Li, and H.N. Li, Phys. Lett. A, 2008, 372(44): 6677
112. B. Delley, Phys. Rev. B, 2002, 66(15): 155125
113. Y.H. Kim, Y.F. Zhao, A. Williamson, M.J. Heben, and S. B. Zhang, Phys. Rev. Lett., 2006, 96(1): 016102
114. Y. Gao and X.C. Zeng, J. Phys.: Condens. Matter, 2007, 19(38): 386220
115. X.B. Yang, R.Q. Zhang, and J. Ni, Phys. Rev. B, 2009, 79(7): 075431