Investigation on specific adsorption of hydrogen on lithium-doped mesoporous silica

Adsorption

Volumn 17, Issue 1, 2011, Pages 211-218

  Kubo, Masaru ^a   Ushiyama, Hiroshi ^a   Shimojima, Atsushi ^a   Okubo, Tatsuya ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

Hydrogen adsorption; Li doping; Mesoporous silica; Quantum chemistry calculation

Indexed keywords

2D-HEXAGONAL; CYLINDRICAL MESOPORES; ETHANOL SOLUTIONS; ETHOXY GROUP; ETHYL CHLORIDE; FRONTIER ORBITALS; GASPHASE; HYDROGEN ADSORPTION; HYDROGEN MOLECULE; HYDROGEN STORAGE MATERIALS; HYDROGEN UPTAKE; ISOSTERIC HEAT OF ADSORPTION; LI DOPING; LITHIUM CHLORIDE; MESOPOROUS SILICA; MESOPOROUS SILICAS; QUANTUM CHEMISTRY CALCULATION; QUANTUM CHEMISTRY CALCULATIONS; SOLID STATE NMR; SPECIFIC ADSORPTION;

CHLORINE COMPOUNDS; DOPING (ADDITIVES); ETHANOL; HEAT TREATMENT; HYDROGEN; HYDROGEN STORAGE; LITHIUM; MESOPOROUS MATERIALS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; QUANTUM THEORY; SILICA;

GAS ADSORPTION;

EID: 79951551638     PISSN: 09295607     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10450-010-9316-0     Document Type: Article

References (28)

1. M. Barbatti G. Jalbert M.A.C. Nascimento 2001 The effects of the presence of an alkaline atomic cation in a molecular hydrogen environment J. Chem. Phys. 114 2213 2218 1:CAS:528:DC%2BD3MXms1ersw%3D%3D 10.1063/1.1338978
2. A.D. Becke 1993 A new mixing of Hartree-Fock and local density-functional theories J. Chem. Phys. 98 1372 1377 1:CAS:528:DyaK3sXhtlagt7o%3D 10.1063/1.464304
3. J.L. Belof A.C. Stern M. Eddaoudi B. Space 2007 On the mechanism of hydrogen storage in a metal-organic framework material J. Am. Chem. Soc. 129 15202 15210 1:CAS:528:DC%2BD2sXht1yrtbfK 10.1021/ja0737164 (Pubitemid 350247804)
4. 1,2 clusters: binding-energies from theory and experiment J. Phys. Chem. 98 2044 2049 1:CAS:528:DyaK2cXivVSksrk%3D 10.1021/j100059a011
5. N. Chino M. Ogura T. Kodaira J. Izumi T. Okubo 2005 Characterization of ESR active species on lithium chloride-modified mesoporous silica J. Phys. Chem. B 109 8574 8579 1:CAS:528:DC%2BD2MXjtl2gu7w%3D 10.1021/jp047212t (Pubitemid 40750887)
6. Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery, J.A., Jr., Vreven, T., Kudin, K.N., Burant, J.C., Millam, J.M., Iyengar, S.S., Tomasi, J., Barone, V., Mennucci, B., Cossi, M., Scalmani, G., Rega, N., Petersson, G.A., Nakatsuji, H., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Klene, M., Li, X., Knox, J.E., Hratchian, H.P., Cross, J.B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Ayala, P.Y., Morokuma, K., Voth, G.A., Salvador, P., Dannenberg, J.J., Zakrzewski, V.G., Dapprich, S., Daniels, A.D., Strain, M.C., Farkas, O., Malick, D.K., Rabuck, A.D., Raghavachari, K., Foresman, J.B., Ortiz, J.V., Cui, Q., Baboul, A.G., Clifford, S., Cioslowski, J., Stefanov, B.B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Martin, R.L., Fox, D.J., Keith, T., Al-Laham, M.A., Peng, C.Y., Nanayakkara, A., Challacombe, M., Gill, P.M.W., Johnson, B., Chen, W., Wong, M.W., Gonzalez, C., Pople, J.A.: Gaussian 03, revision C.02. Gaussian, Inc., Wallingford (2004)
7. 2 storage at ambient temperature J. Am. Chem. Soc. 129 8422 8423 1:CAS:528:DC%2BD2sXmsVKms70%3D 10.1021/ja072599+ (Pubitemid 47066496)
8. 2 storage of hexagonal metal-organic frameworks from first-principles-based grand canonical Monte Carlo simulations J. Phys. Chem. C 112 35 13431 13436 1:CAS:528:DC%2BD1cXpslahurs%3D 10.1021/jp800832b
9. S.S. Han W.Q. Deng W.A. Goddard 2007 Improved designs of metal-organic frameworks for hydrogen storage Angew. Chem. Int. Ed. 46 6289 6292 1:CAS:528:DC%2BD2sXpvVSmtrk%3D 10.1002/anie.200700303 (Pubitemid 47329418)
10. D. Himsl D. Wallacher M. Hartmann 2009 Improving the hydrogen-adsorption properties of a hydroxy-modified MIL-53(Al) structural analogue by lithium doping Angew. Chem. Int. Ed. 48 4639 4642 1:CAS:528:DC%2BD1MXntVGqtb4%3D 10.1002/anie.200806203
11. S.H. Jhung J.W. Yoon S. Lee J.S. Chang 2007 Low-temperature adsorption/storage of hydrogen on FAU, MFI, and MOR zeolites with various Si/Al ratios: effect of electrostatic fields and pore structures Chem. Eur. J. 13 6502 6507 1:CAS:528:DC%2BD2sXptVWrt7s%3D 10.1002/chem.200700148 (Pubitemid 47197649)
12. R.C. Lochan M. Head-Gordon 2006 Computational studies of molecular hydrogen binding affinities: the role of dispersion forces, electrostatics, and orbital interactions Phys. Chem. Chem. Phys. 8 1357 1370 1:CAS:528: DC%2BD28XitlKmurw%3D 10.1039/b515409j
13. H. Miyata T. Noma M. Watanabe K. Kuroda 2002 Preparation of mesoporous silica films with fully aligned large mesochannels using nonionic surfactants Chem. Mater. 14 766 772 1:CAS:528:DC%2BD38XmslChsA%3D%3D 10.1021/cm010412m
14. K.L. Mulfort J.T. Hupp 2007 Chemical reduction of metal-organic framework materials as a method to enhance gas uptake and binding J. Am. Chem. Soc. 129 9604 9605 1:CAS:528:DC%2BD2sXnslGqt70%3D 10.1021/ja0740364 (Pubitemid 47237468)
15. K.L. Mulfort J.T. Hupp 2008 Alkali metal cation effects on hydrogen uptake and binding in metal-organic frameworks Inorg. Chem. 47 7936 7938 1:CAS:528:DC%2BD1cXntVynu7Y%3D 10.1021/ic800700h
16. 2 uptake Langmuir 25 503 508 1:CAS:528:DC%2BD1cXhsVyhs7bN 10.1021/la803014k
17. L.J. Murray M. Dinca J.R. Long 2009 Hydrogen storage in metal-organic frameworks Chem. Soc. Rev. 38 1294 1314 1:CAS:528:DC%2BD1MXkvVamuro%3D 10.1039/b802256a
18. 2-(rho-ZMOF) interaction studies J. Am. Chem. Soc. 131 2864 2870 1:CAS:528:DC%2BD1MXhvVSnsbo%3D 10.1021/ja807229a
19. Y. Ohkawara K. Kusaka S. Ohshio A. Higa M. Toguchi H. Saitoh 2003 Hydrogen storage phenomenon in amorphous phase of hydrogenated carbon nitride Jpn. J. Appl. Phys. 42 5251 5254 1:CAS:528:DC%2BD3sXmvFGkur4%3D 10.1143/JJAP.42.5251
20. S. Orimo G. Majer T. Fukunaga A. Zuttel L. Schlapbach H. Fujii 1999 Hydrogen in the mechanically prepared nanostructured graphite Appl. Phys. Lett. 75 3093 3095 1:CAS:528:DyaK1MXnt12qsr4%3D 10.1063/1.125241 (Pubitemid 129567605)
21. S.H. Park H.M. Liu M. Kleinsorge C.P. Grey B.H. Toby J.B. Parise 2004 [Li-Si-O]-MFI: a new microporous lithosilicate with the MFI topology Chem. Mater. 16 2605 2614 1:CAS:528:DC%2BD2cXktlajsrw%3D 10.1021/cm049861n
22. A. Ramirez B.L. Lopez L. Sierra 2003 Study of the acidic sites and their modifications in mesoporous silica synthesized in acidic medium under quiescent conditions J. Phys. Chem. B 107 9275 9280 1:CAS:528:DC%2BD3sXlslKhsL4%3D 10.1021/jp0351472
23. L. Schlapbach A. Züttel 2001 Hydrogen-storage materials for mobile applications Nature 414 353 358 1:CAS:528:DC%2BD3MXovFGitrk%3D 10.1038/35104634 (Pubitemid 33097818)
24. A. Shimojima R. Goto N. Atsumi K. Kuroda 2008 Self-assembly of alkyl-substituted cubic siloxane cages into ordered hybrid materials Chem. Eur. J. 14 8500 8506 1:CAS:528:DC%2BD1cXht1OhtbzI 10.1002/chem.200801106
25. C.C. Tang Y. Bando X.X. Ding S.R. Qi D. Golberg 2002 Catalyzed collapse and enhanced hydrogen storage of BN nanotubes J. Am. Chem. Soc. 124 14550 14551 1:CAS:528:DC%2BD38Xos1SgsL4%3D 10.1021/ja028051e (Pubitemid 35425024)
26. J.G. Vitillo A. Damin A. Zecchina G. Ricchiardi 2005 Theoretical characterization of dihydrogen adducts with alkaline cations J. Chem. Phys. 122 114311 114319 10.1063/1.1869418 (Pubitemid 40661760)
27. + and the ionizationpotential of LiH. J. Chem. Phys. 71, 783787 (1979)
28. + exchanged co-ordination framework materials Chem. Commun. 46 6108 6110 10.1039/b814155j