Theoretical Study of the Adsorbed Small Molecule on Twisted Nanotubes by Atomic Scale Simulations

Viorel Chihaia; Constantin Ghiţă; Baek Seok Seong; S.-H. Suh

doi:10.1007/978-1-4020-8903-9_47

Theoretical Study of the Adsorbed Small Molecule on Twisted Nanotubes by Atomic Scale Simulations

In: Theoretical Study of the Adsorbed Small Molecule on Twisted Nanotubes by Atomic Scale Simulations (NATO science for peace and security series. B, Physics and biophysics)

Chapter In A Book 2009 English

Abstract

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The adsorption of the hydrogen and methane molecules on the untwisted and twisted carbon nanotubes of type (5,5) are investigated by atomic scale simulation, using the empirical bond order (REBO) force field.1 It is found that the adsorptions of both molecules on the...

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