Release of chemisorbed hydrogen from carbon nanotubes: Insights from ab-initio molecular dynamics simulations
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DOI: 10.1016/j.ijhydene.2017.07.009
Abstract: Abstract The dynamics and energetics related to the release of chemisorbed hydrogen from small-diameter single-walled carbon nanotubes is investigated by first-principles molecular dynamics simulations. Our results suggest a possible route for thermally-activated desorption of hydrogen… read more here.
Keywords: chemisorbed hydrogen; hydrogen; release chemisorbed; carbon nanotubes ... See more keywords