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Modelling of Nickel Atoms Interacting with Single-Walled Nanotubes

Herein, the encapsulation mechanism of nickel atoms into carbon and boron nitride nanotubes is investigated sukrensi.com to determine the interaction energies between the nickel atom and a nanotube.Classical modelling procedures, together with the 6-12 Lennard-Jones potential function and the hybrid discrete-continuous approach, are used to calcula

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