2006/09/30 by Engin Durgun, S. Çiraci, Salim Ciraci +3 · 3 citations
Chemical Engineering · Energy · Materials Science · Physics and Astronomy · #Ammonia Synthesis and Nitrogen Reduction #Electrocatalysts for Energy Conversion #Hydrogen Storage and Materials #cond-mat.other
paper · pdf · doi:10.1103/physrevlett.97.226102
5 pages, 4 figures, additional content, Phys. Rev. Lett. in press
arxiv created 2006/10/30 · openalex publication_date 2006/11/30 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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.