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pro vyhledávání: '"Wei Quan"'
Publikováno v:
In International Journal of Hydrogen Energy 2011 36(1):606-615
Publikováno v:
International Journal of Hydrogen Energy. 44:2960-2975
The hydrogen adsorption capacity of dual-Ti-doped (7, 7) single-walled carbon nanotube (Ti-SWCNTs) has been studied by the first principles calculations. Ti atoms show different characters at different locations due to local doping environment and pa
Publikováno v:
In International Journal of Hydrogen Energy 2009 34(13):5444-5448
Akademický článek
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Publikováno v:
International Journal of Hydrogen Energy. 36:606-615
As candidates for hydrogen storage materials, Ti-doped pyracylenes, with a carbon atom replaced with a Ti atom, have been studied with density functional theory based method. Ti-doped pyracylene III with the Ti atom lying on a pentagon is the most st
Publikováno v:
International Journal of Hydrogen Energy. 34:5444-5448
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 hydro