Classical Trajectory Studies of the D + H2 → HD + H Reaction Confined in Carbon Nanotubes: Effects of Collisions with the Nanotube Walls

We use full-dimensional classical trajectories to study how reaction cross sections for the D + H2 → DH + H reaction are altered when the system is confined to move within various sized carbon nanotubes (CNTs). We focus on trajectories with initial conditions such that collisions with the nanotube w...

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Veröffentlicht in:	Journal of physical chemistry. C 2010-05, Vol.114 (19), p.9030-9040
Hauptverfasser:	Lu, Tun, Goldfield, Evelyn M, Gray, Stephen K
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Surfaces, Interfaces, Catalysis CARBON CROSS SECTIONS NANOSCIENCE AND NANOTECHNOLOGY NANOTUBES REFLECTION TRAJECTORIES
Online-Zugang:	Volltext
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