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Novel sandwich-type dimetallocenes: Toward promising candidate media for high-capacity hydrogen storage
- Source :
-
International Journal of Hydrogen Energy . Sep2011, Vol. 36 Issue 18, p11810-11814. 5p. - Publication Year :
- 2011
-
Abstract
- Abstract: With respect to first-principles calculations, the sandwich-type dinuclear organometallic compounds as (C5H5)2TM2 (M = Sc and Ti) can adsorb up to eight hydrogen molecules. The corresponding gravimetric hydrogen-storage capacity is 6.7 wt% for (C5H5)2Ti2 and 6.8 wt% for (C5H5)2Sc2. The multimetallocenes (e.g., CpTi3Cp and CpTi4Cp) complexes can further increase the H2 adsorption capacity to 8.7 wt% and 10.4 wt%, respectively. These sandwich-type organometallocenes proposed in this work are favorable for reversible adsorption and desorption of hydrogen under ambient conditions. These predictions will likely provide a new route for developing novel high-capacity hydrogen-storage materials. [Copyright &y& Elsevier]
Details
- Language :
- English
- ISSN :
- 03603199
- Volume :
- 36
- Issue :
- 18
- Database :
- Academic Search Index
- Journal :
- International Journal of Hydrogen Energy
- Publication Type :
- Academic Journal
- Accession number :
- 65043694
- Full Text :
- https://doi.org/10.1016/j.ijhydene.2011.04.024