Calculation of hydrogen storage capacity of metal-organic and covalent-organic frameworks by spillover

Journal of Chemical Physics

Volumn 131, Issue 17, 2009, Pages

  Suri, Mayur ^a   Dornfeld, Matthew ^a   Ganz, Eric ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO QUANTUM CHEMISTRY CALCULATIONS; ACTIVE STORAGE; HYDROGEN STORAGE CAPACITIES; LINKER MOLECULES; METAL-ORGANIC; PT CATALYSTS; ROOM TEMPERATURE; SATURATION EXCESS; SIMPLE MODEL; STORAGE DENSITIES;

BINDING ENERGY; CATALYSIS; HYDROGEN; PLATINUM; PROGRAMMABLE LOGIC CONTROLLERS; STORAGE (MATERIALS);

HYDROGEN STORAGE;

EID: 70449411119     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3257737     Document Type: Article

References (23)

1. S. Satyapal, J. Petrovic, and G. Thomas, Sci. Am. 0036-8733 81 (2007).
2. L. Wang and R. Yang, Energy Environ. Sci. 1754-5692 1, 268 (2008). 10.1039/b807957a
3. N. L. Rosi, J. Eckert, M. Eddaoudi, D. T. Vodak, J. Kim, M. O'Keeffe, and O. M. Yaghi, Science 0036-8075 300, 1127 (2003). 10.1126/science.1083440 (Pubitemid 36583092)
4. A. P. Cote, A. I. Benin, N. W. Ockwig, M. O'Keeffe, A. J. Matzger, and O. M. Yaghi, Science 0036-8075 310, 1166 (2005). 10.1126/science.1120411 (Pubitemid 41681739)
5. L. J. Murray, M. Dinca, and J. R. Long, Chem. Soc. Rev. 0306-0012 38, 1294 (2009). 10.1039/b802256a
6. Y. Li and R. T. Yang, J. Am. Chem. Soc. 0002-7863 128, 8136 (2006). 10.1021/ja061681m (Pubitemid 43967748)
7. C. S. Tsao, M. S. Yu, C. Y. Wang, P. Y. Liao, H. L. Chen, U. S. Jeng, Y. R. Tzeng, T. Y. Chung, and H. C. Wu, J. Am. Chem. Soc. 0002-7863 131, 1404 (2009). 10.1021/ja802741b
8. C. Prestipino, L. Regli, J. G. Vitillo, F. Bonino, A. Damin, C. Lamberti, A. Zecchina, P. L. Solari, K. O. Kongshaug, and S. Bordiga, Chem. Mater. 0897-4756 18, 1337 (2006). 10.1021/cm052191g
9. G. F́rey, C. Mellot-Draznieks, C. Serre, F. Millange, J. Dutour, S. Surbĺ, and I. Margiolaki, Science 0036-8075 309, 2040 (2005). 10.1126/science.1116275 (Pubitemid 41362318)
10. Y. Li, F. H. Yang, and R. T. Yang, J. Phys. Chem. 0022-3654 111, 3405 (2007). 10.1021/jp065367q (Pubitemid 46456237)
11. H. Cheng, L. Chen, A. C. Cooper, X. Shaa, and G. P. Peza, Energy Environ. Sci. 1754-5692 1, 338 (2008). 10.1039/b807618a
12. X. W. Sha and B. Jackson, Surf. Sci. 0039-6028 496, 318 (2002). 10.1016/S0039-6028(01)01602-8 (Pubitemid 34086338)
13. M. Miller, C. Y. Wang, and G. Merrill, J. Phys. Chem. 0022-3654 113, 8218 (2009). 10.1021/jp903520s
14. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN03, Revision C.02, Gaussian, Inc., Wallingford, CT, 2004.
15. N. Godbout, D. R. Salahub, J. Andzelm, and E. Wimmer, Can. J. Chem. 0008-4042 70, 560 (1992). 10.1139/v92-079
16. C. Sosa, J. Andzelm, B. C. Elkin, E. Wimmer, K. D. Dobbs, and D. A. Dixon, J. Phys. Chem. 0022-3654 96, 6630 (1992). 10.1021/j100195a022
17. A. A. Granovsky, PC GAMESS, version 7.1 (http://classic.chem.msu.su/gran/ gamess/index.html); M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. J. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, J. Comput. Chem. 0192-8651 14, 1347 (1993). 10.1002/jcc.540141112
18. M. Suenaga, FACIO 11.8.3 (http://www1.bbiq.jp/zzzfelis/Facio.html).
19. E. F. Pettersen, T. D. Goddard, C. C. Huang, G. S. Couch, D. M. Greenblatt, E. C. Meng, and T. E. Ferrin, J. Comput. Chem. 0192-8651 25, 1605 (2004). 10.1002/jcc.20084
20. T. Sagara, J. Ortony, and E. Ganz, J. Chem. Phys. 0021-9606 123, 214707 (2005). 10.1063/1.2133734
21. R. Crabtree, Energy Environ. Sci. 1754-5692 1, 134 (2008). 10.1039/b805644g
22. A. G. Wong-Foy, A. J. Matzger, and O. M. Yaghi, J. Am. Chem. Soc. 0002-7863 128, 3494 (2006). 10.1021/ja058213h
23. M. Eddaoudi, J. Kim, N. Rosi, D. Vodak, J. Wachter, M. O'Keeffe, and O. M. Yaghi, Science 0036-8075 295, 469 (2002). 10.1126/science.1067208 (Pubitemid 34101630)