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Published in 2019 at "Indian Journal of Physics"
DOI: 10.1007/s12648-018-1295-0
Abstract: Density functional theory and non-equilibrium Green’s function by TranSIESTA software were employed to investigate the structural and electronic properties of rubidium-intercalated (5, 0) zigzag carbon nanotube that could be used as carbon nanotube-based electronic devices.…
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Keywords:
carbon;
structural electronic;
carbon nanotube;
zigzag carbon ... See more keywords
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Published in 2022 at "Chemical Science"
DOI: 10.1039/d1sc05459g
Abstract: Well-studied cycloparaphenylenes (CPPs) correspond to the simplest segments of armchair CNTs, whereas the corresponding macrocyclic oligophenylene strip of zigzag CNTs is still missing. Herein, we present two series of conjugated macrocycles (CM2PP and CN2PP) containing…
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Keywords:
carbon nanotubes;
phenylene segments;
segments zigzag;
mediated dimerization ... See more keywords