Browsing by Subject "Stable complexes"

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    Transition-metal-ethylene complexes as high-capacity hydrogen-storage media
    (American Physical Society, 2006) Durgun, Engin; Çıracı, Salim; Zhou, W.; Yildirim, T.
    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 ∼14wt%. Dimerization, polymerizations, and incorporation of the TM-ethylene complexes in nanoporous carbon materials are also discussed. Our results are quite remarkable and open a new approach to high-capacity hydrogen-storage materials discovery.