title: Transition-metal-ethylene complexes as high-capacity hydrogen-storage media.
abstract: 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 approximately 14 wt %. 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.
authors.affiliation: Department of Physics, Bilkent University, Ankara 06800, Turkey.
authors.forename: E
authors.initials: E
authors.lastname: Durgun
authors.forename: S
authors.initials: S
authors.lastname: Ciraci
authors.forename: W
authors.initials: W
authors.lastname: Zhou
authors.forename: T
authors.initials: T
authors.lastname: Yildirim