Transition-metal-ethylene complexes as high-capacity hydrogen-storage media.
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.
Durgun
E
E
Department of Physics, Bilkent University, Ankara 06800, Turkey.
Ciraci
S
S
Zhou
W
W
Yildirim
T
T