Transition Metal-Ethylene Complexes as High-Capacity Hydrogen Storage Media

Details Transition Metal-Ethylene Complexes as High-Capacity Hydrogen Storage Media Transition Metal-Ethylene Complexes as High-Capacity Hydrogen Storage Media

2006-09-04

arxiv.org/abs/cond-mat/0609068v2

Physics

Condensed Matter

Other Condensed Matter

5 pages, 4 figures, additional content, Phys. Rev. Lett. in press

Scientific paper

10.1103/PhysRevLett.97.226102

From first-principles calculations, we predict that a single ethylene molecule can form a stable complex with two transition metals (TM) such as Ti. The resulting TM-ethylene complex then absorbs up to ten hydrogen molecules, reaching to gravimetric storage capacity of 14 wt%. Dimerization, polymerizations and incorporation of the TM-ethylene complexes in nanoporous carbon materials have been also discussed. Our results are quite remarkable and open a new approach to high-capacity hydrogen storage materials discovery.

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