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Optimized structures of the (5,5) SWCNTs with metals confined in the interior channel: (a) side view, (b) top view of the K-doped (5,5) SWCNT, and (c) top view of the Li-, Mg-, and Al-doped (5,5) SWCNT.
Calculated dissociation pathways of onto two adjacent sites on the metals doped (5,5) SWCNTs.
Binding energies and charge transfer of light metals doped inside the (5,5) SWCNTs.
Calculated dissociative chemisorption energies of on the pristine and light metal doped (5,5) SWCNTs.
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