Durgun, EnginÇıracı, SalimZhou, W.Yildirim, T.2016-02-082016-02-0820060031-9007http://hdl.handle.net/11693/23595From 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.EnglishCarbonDimerizationHydrogenMoleculesNanostructured materialsTransition metalsGravimetric storage capacityHydrogen storage mediaStable complexesEthyleneArticle10.1103/PhysRevLett.97.226102