The potential of transition metal–methylidynes as high-capacity hydrogen storage media
| Autor: | De-Li Chen, Chia-Chung Sun, Wei Quan Tian, Qi Dong |
|---|---|
| Rok vydání: | 2009 |
| Předmět: |
Hydrogen
Renewable Energy Sustainability and the Environment Chemistry Dimer Inorganic chemistry Kinetics Energy Engineering and Power Technology chemistry.chemical_element High capacity Random hexamer Condensed Matter Physics chemistry.chemical_compound Hydrogen storage Fuel Technology Adsorption Transition metal |
| Zdroj: | International Journal of Hydrogen Energy. 34:5444-5448 |
| ISSN: | 0360-3199 |
| Popis: | With respect to density functional predictions, TM–methylidynes (TM = Sc, Ti, V, and Cr) bind high-density hydrogen at ambient conditions. TM–methylidyne complexes can adsorb up to seven hydrogen molecules. The predicted maximal retrievable hydrogen storage density is 16.7 wt% for ScCH, a record high value so far, larger than the 16.0 wt% for TiCH, 13.2 wt% for VCH, and 13.0 wt% for CrCH. Dimerization and oligomerization of scandium–methylidyne lower the hydrogen storage capacity to 9.2 wt% for the dimer and to 7.9 wt% for the hexamer. These predictions provide useful guidance for designing novel hydrogen storage materials with optimal gravimetry and kinetics and for devising possible schemes by which the hydrogen/host material interactions can be manipulated. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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