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

ORAL

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 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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Authors

  • E. Durgun

    • Physics Department, Bilkent University, Ankara Turkey

  • Salim Ciraci

    • Department of Physics Bilkent University Ankara Turkey
    • Department of Physics, Bilkent University
    • Physics Department, Bilkent University, Ankara Turkey
    • Bilkent University

  • W. Zhou

    • NIST Center for Neutron Research and University of Pennsylvania

  • Taner Yildirim

    • NIST Center for Neutron Research
    • NIST Center for Neutron Research and University of Pennsylvania