Adsorption of hydrogen on neutral and charged fullerene: Experiment and theory

Journal of Chemical Physics

Volumn 138, Issue 7, 2013, Pages

  Kaiser, A ^a   Leidlmair, C ^a   Bartl, P ^a   Zottl S ^a   Denifl, S ^a   Mauracher, A ^a   Probst, M ^a   Scheier, P ^a   Echt, O ^a,b  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b University of New Hampshire   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

A-CARBON; ABRUPT DROPS; ADSORBATE MOLECULES; CHARGE SEPARATIONS; CHARGED COMPLEXES; COVALENTLY BOUND; ELECTRON IONIZATION; HELIUM DROPLETS; HIGH RESOLUTION MASS SPECTROMETRY; HYDROGEN ATOMS; HYDROGEN CLUSTERS; HYDROGEN COMPLEXES; ION SERIES; ISOTOPE EFFECT; PHYSISORBED; SOLVATION LAYERS;

ADSORBATES; ATOMS; BINDING ENERGY; CARRIER MOBILITY; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; DEUTERIUM; DROPS; FULLERENES; HELIUM; HYDROGEN; IMPACT IONIZATION; IONS; MASS SPECTROMETRY; MOLECULES;

GAS ADSORPTION;

EID: 84874529290     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4790403     Document Type: Article

References (123)

1. G. W. Crabtree and M. S. Dresselhaus, MRS Bull. 33, 421 (2008). 10.1557/mrs2008.84
2. L. Schlapbach and A. Züttel, Nature (London) 414, 353 (2001). 10.1038/35104634
3. U.S. Department of Energy, Energy Efficiency and Renewable Energy/Hydrogen Storage, see http://www1.eere.energy.gov/hydrogenandfuelcells/ storage/current-technology.html, 2013.
4. H. Furukawa and O. M. Yaghi, J. Am. Chem. Soc. 131, 8875 (2009); 10.1021/ja9015765
5. H. Furukawa, N. Ko, Y. B. Go, N. Aratani, S. B. Choi, E. Choi, A. O. Yazaydin, R. Q. Snurr, M. O'Keeffe, J. Kim, and O. M. Yaghi, Science 329, 424 (2010); 10.1126/science.1192160
6. P. B. Sorokin, H. Lee, L. Y. Antipina, A. K. Singh, and B. I. Yakobson, Nano Lett. 11, 2660 (2011); 10.1021/nl200721v
7. P. Jena, J. Phys. Chem. Lett. 2, 206 (2011); 10.1021/jz1015372
8. N. Park, K. Choi, J. Hwang, D. W. Kim, D. O. Kim, and J. Ihm, Proc. Natl. Acad. Sci. U.S.A. 109, 19893 (2012). 10.1073/pnas.1217137109
9. A. C. Dillon, K. M. Jones, T. A. Bekkedahl, C. H. Kiang, D. S. Bethune, and M. J. Heben, Nature (London) 386, 377 (1997); 10.1038/386377a0
10. Y. Ye, C. C. Ahn, C. Witham, B. Fultz, J. Liu, A. G. Rinzler, D. Colbert, K. A. Smith, and R. E. Smalley, Appl. Phys. Lett. 74, 2307 (1999); 10.1063/1.123833
11. M. Yoon, S. Y. Yang, C. Hicke, E. Wang, D. Geohegan, and Z. Y. Zhang, Phys. Rev. Lett. 100, 206806 (2008); 10.1103/PhysRevLett.100.206806
12. K. R. S. Chandrakumar and S. K. Ghosh, Nano Lett. 8, 13 (2008); 10.1021/nl071456i
13. D. Saha and S. G. Deng, Carbon 48, 3471 (2010); 10.1016/j.carbon.2010.05. 044
14. Y. Yamada, Y. Satake, K. Watanabe, Y. Yokoyama, R. Okada, and M. Sasaki, Phys. Rev. B 84, 235425 (2011); 10.1103/PhysRevB.84.235425
15. P. Mauron, A. Remhof, A. Bliersbach, A. Borgschulte, A. Zuttel, D. Sheptyakov, M. Gaboardi, M. Choucair, D. Pontiroli, M. Aramini, A. Gorreri, and M. Ricco, Int. J. Hydrogen Energy 37, 14307 (2012). 10.1016/j.ijhydene.2012.07. 045
16. M. Yoon, S. Y. Yang, E. Wang, and Z. Y. Zhang, Nano Lett. 7, 2578 (2007). 10.1021/nl070809a
17. M. Bienfait, P. Zeppenfeld, N. Dupont-Pavlovsky, M. Muris, M. R. Johnson, T. Wilson, M. DePies, and O. E. Vilches, Phys. Rev. B 70, 035410 (2004). 10.1103/PhysRevB.70.035410
18. H. Freimuth, H. Wiechert, and H. J. Lauter, Surf. Sci. 189, 548 (1987). 10.1016/S0039-6028(87)80480-6
19. H. Freimuth, H. Wiechert, H. P. Schildberg, and H. J. Lauter, Phys. Rev. B 42, 587 (1990). 10.1103/PhysRevB.42.587
20. C. Leidlmair, Y. Wang, P. Bartl, H. Schöbel, S. Denifl, M. Probst, M. Alcamí, F. Martín, H. Zettergren, K. Hansen, O. Echt, and P. Scheier, Phys. Rev. Lett. 108, 076101 (2012). 10.1103/PhysRevLett.108.076101
21. H. Shin and Y. Kwon, J. Chem. Phys. 136, 064514 (2012). 10.1063/1.3685848
22. C. Leidlmair, P. Bartl, H. Schöbel, S. Denifl, M. Probst, P. Scheier, and O. Echt, Astrophys. J. Lett. 738, L4 (2011). 10.1088/2041-8205/738/ 1/L4
23. D. Schröder, D. K. Bohme, T. Weiske, and H. Schwarz, Int. J. Mass Spectrom. Ion Process. 116, R13 (1992); 10.1016/0168-1176(92)80127-M
24. S. Petrie, G. Javahery, J. Wang, and D. K. Bohme, J. Am. Chem. Soc. 114, 6268 (1992). 10.1021/ja00041a068
25. M. Farnik and J. Toennies, J. Chem. Phys. 122, 014307 (2005). 10.1063/1.1815272
26. T. Oka, Proc. Natl. Acad. Sci. U.S.A. 103, 12235 (2006). 10.1073/pnas.0601242103
27. H. W. Kroto, J. R. Heath, S. C. O'Brien, R. F. Curl, and R. E. Smalley, Nature (London) 318, 162 (1985); 10.1038/318162a0
28. H. W. Kroto and M. Jura, Astron. Astrophys. 263, 275 (1992).
29. F. R. di Brozolo, T. E. Bunch, R. H. Fleming, and J. Macklin, Nature (London) 369, 37 (1994). 10.1038/369037a0
30. B. H. Foing and P. Ehrenfreund, Nature (London) 369, 296 (1994); 10.1038/369296a0
31. B. H. Foing and P. Ehrenfreund, Astron. Astrophys. 317, L59 (1997).
32. S. Petrie and D. K. Bohme, Astrophys. J. 540, 869 (2000). 10.1086/309346
33. G. H. Herbig, Astrophys. J. 542, 334 (2000); 10.1086/309523
34. A. Sassara, G. Zerza, M. Chergui, and S. Leach, Astrophys. J., Suppl. Ser. 135, 263 (2001). 10.1086/323533
35. X. K. Wang, X. W. Lin, M. Mesleh, M. F. Jarrold, V. P. Dravid, J. B. Ketterson, and R. P. H. Chang, J. Mater. Res. 10, 1977 (1995). 10.1557/JMR.1995.1977
36. C. Jäger, F. Huisken, H. Mutschke, I. L. Jansa, and T. H. Henning, Astrophys. J. 696, 706 (2009). 10.1088/0004-637X/696/1/706
37. J. Cami, J. Bernard-Salas, E. Peeters, and S. E. Malek, Science 329, 1180 (2010); 10.1126/science.1192035
38. D. A. Garcia-Hernandez, A. Manchado, P. Garcia-Lario, L. Stanghellini, E. Villaver, R. A. Shaw, R. Szczerba, and J. V. Perea-Calderon, Astrophys. J. Lett. 724, L39 (2010); 10.1088/2041-8205/724/1/L39
39. J. Bernard-Salas, J. Cami, E. Peeters, A. P. Jones, E. R. Micelotta, and M. A. T. Groenewegen, Astrophys. J. 757, 41 (2012). 10.1088/0004-637X/757/1/41
40. Y. Zhang and S. Kwok, Astrophys. J. 730, 126 (2011). 10.1088/0004-637X/ 730/2/126
41. K. Sellgren, M. W. Werner, J. G. Ingalls, J. D. T. Smith, T. M. Carleton, and C. Joblin, Astrophys. J. Lett. 722, L54 (2010). 10.1088/2041-8205/722/1/L54
42. C. S. Jeffery, Astron. Astrophys. 299, 135 (1995);
43. D. A. Garcia-Hernandez, N. K. Rao, and D. L. Lambert, Astrophys. J. 729, 126 (2011). 10.1088/0004-637X/729/2/126
44. K. R. G. Roberts, K. T. Smith, and P. J. Sarre, Mon. Not. R. Astron. Soc. 421, 3277 (2012). 10.1111/j.1365-2966.2012.20552.x
45. T. P. Snow and B. J. McCall, Annu. Rev. Astron. Astrophys. 44, 367 (2006). 10.1146/annurev.astro.43.072103.150624
46. M. L. Heger, Lick Obs. Bull. 10, 146 (1922).
47. L. M. Hobbs, D. G. York, J. A. Thorburn, T. P. Snow, M. Bishof, S. D. Friedman, B. J. McCall, T. Oka, B. Rachford, P. Sonnentrucker, and D. E. Welty, Astrophys. J. 705, 32 (2009). 10.1088/0004-637X/705/1/32
48. P. J. Sarre, J. Mol. Spectrosc. 238, 1 (2006). 10.1016/j.jms.2006.03.009
49. J. P. Toennies and A. F. Vilesov, Angew. Chem., Int. Ed. 43, 2622 (2004). 10.1002/anie.200300611
50. L. An der Lan, P. Bartl, C. Leidlmair, H. Schöbel, R. Jochum, S. Denifl, T. D. Märk, A. M. Ellis, and P. Scheier, J. Chem. Phys. 135, 044309 (2011). 10.1063/1.3610388
51. MATLAB R2011a, Mathworks, see http://www.mathworks.com.
52. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 09, Revision A.02, Gaussian, Inc., Wallingford, CT, 2009;
53. R. Ditchfield, W. J. Hehre, and J. A. Pople, J. Chem. Phys. 54, 724 (1971). 10.1063/1.1674902
54. C. Adamo and V. Barone, J. Chem. Phys. 110, 6158 (1999). 10.1063/1.478522
55. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
56. N. Sai, K. Leung, and J. R. Chelikowsky, Phys. Rev. B 83, 121309 (R) (2011); 10.1103/PhysRevB.83.121309
57. e-print arXiv:1103.1938v1.
58. C. Van Caillie and R. D. Amos, Chem. Phys. Lett. 328, 446 (2000). 10.1016/S0009-2614(00)00942-8
59. S. Grimme, J. Comput. Chem. 27, 1787 (2006); 10.1002/jcc.20495
60. J.-D. Chai and M. Head-Gordon, Phys. Chem. Chem. Phys. 10, 6615 (2008). 10.1039/b810189b
61. S. E. Huber, S. Dalnodar, W. Kausch, S. Kimeswenger, and M. Probst, AIP Adv. 2, 032180 (2012); 10.1063/1.4755786
62. M. P. Waller, H. Kruse, C. Muck-Lichtenfeld, and S. Grimme, Chem. Soc. Rev. 41, 3119 (2012); 10.1039/c2cs15244d
63. Y. Zhao, X. J. Wu, J. L. Yang, and X. C. Zeng, Phys. Chem. Chem. Phys. 13, 11766 (2011). 10.1039/c1cp20534j
64. See http://www.physics.nist.gov/PhysRefData/Elements/ for atomic element data.
65. S. Jaksch, A. Mauracher, A. Bacher, S. Denifl, F. Ferreira da Silva, H. Schöbel, O. Echt, T. D. Märk, M. Probst, D. K. Bohme, and P. Scheier, J. Chem. Phys. 129, 224306 (2008); 10.1063/1.3035833
66. P. Bartl, C. Leidlmair, S. Denifl, P. Scheier, and O. Echt, ChemPhysChem 14, 227 (2012). 10.1002/cphc.201200664
67. T. T. Vehvilainen, M. G. Ganchenkova, L. E. Oikkonen, and R. M. Nieminen, Phys. Rev. B 84, 085447 (2011). 10.1103/PhysRevB.84.085447
68. C. C. Henderson, C. M. Rohlfing, and P. A. Cahill, Chem. Phys. Lett. 213, 383 (1993). 10.1016/0009-2614(93)85150-M
69. T. Korona, A. Hesselmann, and H. Dodziuk, J. Chem. Theory Comput. 5, 1585 (2009). 10.1021/ct900108f
70. P. A. Denis, J. Phys. Chem. C 112, 2791 (2008). 10.1021/jp710114v
71. K. A. Williams, B. K. Pradhan, P. C. Eklund, M. K. Kostov, and M. W. Cole, Phys. Rev. Lett. 88, 165502 (2002). 10.1103/PhysRevLett.88.165502
72. C. M. Brown, T. Yildirim, D. A. Neumann, M. J. Heben, T. Gennett, A. C. Dillon, J. L. Alleman, and J. E. Fischer, Chem. Phys. Lett. 329, 311 (2000). 10.1016/S0009-2614(00)01003-4
73. J. S. Arellano, L. M. Molina, A. Rubio, M. J. Lopez, and J. A. Alonso, J. Chem. Phys. 117, 2281 (2002). 10.1063/1.1488595
74. I. Cabria, M. J. Lopez, and J. A. Alonso, Comput. Mater. Sci. 35, 238 (2006). 10.1016/j.commatsci.2004.10.008
75. Y. Okamoto, J. Phys. Chem. A 105, 7634 (2001); 10.1021/jp0104583
76. A. Ferre-Vilaplana, J. Chem. Phys. 122, 104709 (2005); 10.1063/1.1859278
77. M. Rubes and O. Bludsky, ChemPhysChem 10, 1868 (2009). 10.1002/cphc.200900057
78. P. A. Berseth, A. G. Harter, R. Zidan, A. Blomqvist, C. M. Araujo, R. H. Scheicher, R. Ahuja, and P. Jena, Nano Lett. 9, 1501 (2009); 10.1021/nl803498e
79. T. X. Nguyen, J. S. Bae, Y. Wang, and S. K. Bhatia, Langmuir 25, 4314 (2009). 10.1021/la900220g
80. A. van Deursen and J. Reuss, Int. J. Mass Spectrom. Ion Phys. 11, 483 (1973); 10.1016/0020-7381(73)80077-4
81. Y. K. Bae, P. C. Cosby, and D. C. Lorents, Chem. Phys. Lett. 159, 214 (1989); 10.1016/0009-2614(89)87412-3
82. S. L. Anderson, T. Hirooka, P. W. Tiedemann, B. H. Mahan, and Y. T. Lee, J. Chem. Phys. 73, 4779 (1980). 10.1063/1.440010
83. A. A. Radzig and B. M. Smirnov, Reference Data on Atoms, Molecules, and Ions (Springer, Heidelberg, 1985).
84. H. Tachikawa, Phys. Chem. Chem. Phys. 2, 4702 (2000). 10.1039/b004969g
85. Y. Ekinci, E. L. Knuth, and J. P. Toennies, J. Chem. Phys. 125, 133409 (2006). 10.1063/1.2217942
86. W. K. Lewis, C. M. Lindsay, R. J. Bemish, and R. E. Miller, J. Am. Chem. Soc. 127, 7235 (2005); 10.1021/ja042489s
87. A. M. Ellis and S. F. Yang, Phys. Rev. A 76, 032714 (2007); 10.1103/PhysRevA.76.032714
88. O. Echt, T. D. Märk, and P. Scheier, in Handbook of Nanophysics, edited by, K. Sattler, (CRC, New York, 2010), Vol. 2;
89. B. Shepperson, J. Liu, A. M. Ellis, and S. F. Yang, J. Chem. Phys. 135, 041101 (2011). 10.1063/1.3622764
90. A. A. Scheidemann, V. V. Kresin, and H. Hess, J. Chem. Phys. 107, 2839 (1997); 10.1063/1.474642
91. L. An der Lan, P. Bartl, C. Leidlmair, H. Schöbel, S. Denifl, T. D. Märk, A. M. Ellis, and P. Scheier, Phys. Rev. B 85, 115414 (2012). 10.1103/PhysRevB.85.115414
92. E. Loginov, L. F. Gomez, N. Chiang, A. Halder, N. Guggemos, V. V. Kresin, and A. F. Vilesov, Phys. Rev. Lett. 106, 233401 (2011). 10.1103/PhysRevLett. 106.233401
93. R. K. Yoo, B. Ruscic, and J. Berkowitz, J. Chem. Phys. 96, 911 (1992). 10.1063/1.462112
94. H. Schöbel, P. Bartl, C. Leidlmair, M. Daxner, S. Zöttl, S. Denifl, T. D. Märk, P. Scheier, D. Spångberg, A. Mauracher, and D. K. Bohme, Phys. Rev. Lett. 105, 243402 (2010). 10.1103/PhysRevLett.105.243402
95. O. Echt, D. Kreisle, E. Recknagel, J. J. Saenz, R. Casero, and J. M. Soler, Phys. Rev. A 38, 3236 (1988). 10.1103/PhysRevA.38.3236
96. H. Steger, J. deVries, B. Kamke, W. Kamke, and T. Drewello, Chem. Phys. Lett. 194, 452 (1992). 10.1016/0009-2614(92)86081-R
97. A. J. Stace, J. Phys. Chem. A 106, 7993 (2002). 10.1021/jp020694t
98. S. Denifl, F. Zappa, I. Mähr, F. Ferreira da Silva, A. Aleem, A. Mauracher, M. Probst, J. Urban, P. Mach, A. Bacher, O. Echt, T. D. Märk, and P. Scheier, Angew. Chem., Int. Ed. 48, 8940 (2009); 10.1002/anie.200904381
99. S. Denifl, F. Zappa, I. Mähr, A. Mauracher, M. Probst, J. Urban, P. Mach, A. Bacher, D. K. Bohme, O. Echt, T. D. Märk, and P. Scheier, J. Chem. Phys. 132, 234307 (2010); 10.1063/1.3436721
100. H. Schöbel, C. Leidlmair, P. Bartl, A. Aleem, M. Hager, O. Echt, T. D. Märk, and P. Scheier, Phys. Chem. Chem. Phys. 13, 1092 (2011). 10.1039/c0cp01268h
101. C. Leidlmair, P. Bartl, H. Schöbel, S. Denifl, T. D. Märk, S. Yang, A. M. Ellis, and P. Scheier, ChemPhysChem 13, 469 (2011). 10.1002/cphc.201100880
102. J. H. Kim, D. S. Peterka, C. C. Wang, and D. M. Neumark, J. Chem. Phys. 124, 214301 (2006); 10.1063/1.2202313
103. S. F. Yang, S. M. Brereton, M. D. Wheeler, and A. M. Ellis, J. Phys. Chem. A 110, 1791 (2006); 10.1021/jp0544437
104. A. Boatwright, J. Jeffs, and A. J. Stace, J. Phys. Chem. A 111, 7481 (2007); 10.1021/jp0713965
105. H. Schöbel, P. Bartl, C. Leidlmair, S. Denifl, O. Echt, T. D. Märk, and P. Scheier, Eur. Phys. J. D 63, 209 (2011). 10.1140/epjd/e2011- 10619-1
106. C. E. Klots, Z. Phys. D 21, 335 (1991); 10.1007/BF01438406
107. R. Casero and J. M. Soler, J. Chem. Phys. 95, 2927 (1991); 10.1063/1.460895
108. K. Hansen and U. Näher, Phys. Rev. A 60, 1240 (1999). 10.1103/PhysRevA.60.1240
109. C. E. Klots, J. Phys. Chem. 92, 5864 (1988). 10.1021/j100332a005
110. C. Brechignac, P. Cahuzac, J. Leygnier, and J. Weiner, J. Chem. Phys. 90, 1492 (1989); 10.1063/1.456675
111. U. Näher and K. Hansen, J. Chem. Phys. 101, 5367 (1994). 10.1063/1.467390
112. J. Gspann, in Proceedings of the 12th International Conference on the Physics of Electronic and Atomic Collisions, edited by, S. Datz, (Gatlinburg, TN, 1981), p. 79.
113. J. U. Andersen, E. Bonderup, and K. Hansen, J. Chem. Phys. 114, 6518 (2001). 10.1063/1.1357794
114. S. Prasalovich, K. Hansen, M. Kjellberg, V. N. Popok, and E. E. B. Campbell, J. Chem. Phys. 123, 084317 (2005). 10.1063/1.2008948
115. L. An der Lan, P. Bartl, C. Leidlmair, R. Jochum, S. Denifl, O. Echt, and P. Scheier, Chem.-Eur. J. 18, 4411 (2012). 10.1002/chem.201103432
116. C. E. Klots, Nature (London) 327, 222 (1987). 10.1038/327222a0
117. U. Zimmermann, N. Malinowski, A. Burkhardt, and T. P. Martin, Carbon 33, 995 (1995). 10.1016/0008-6223(95)00028-C
118. S. Zöttl, A. Kaiser, P. Bartl, C. Leidlmair, A. Mauracher, M. Probst, S. Denifl, O. Echt, and P. Scheier, J. Phys. Chem. Lett. 3, 2598 (2012). 10.1021/jz301106x
119. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 2004).
120. F. Calvo, Phys. Rev. B 85, 060502(R) (2012). 10.1103/PhysRevB.85.060502
121. D. S. Greywall, Phys. Rev. B 47, 309 (1993). 10.1103/PhysRevB.47.309
122. J. de Vries, H. Steger, B. Kamke, C. Menzel, B. Weisser, W. Kamke, and I. V. Hertel, Chem. Phys. Lett. 188, 159 (1992). 10.1016/0009-2614(92)90001-4
123. See http://webbook.nist.gov/ for NIST Chemistry WebBook, 2012.