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• W3011979714 abstract "The effect of flexoelectric voltage on the electronic and optical properties of single- and double-wall carbon nanotubes is evaluated by the first-principles calculations. The voltage between the inner channel of curved sp2 carbon nanostructures and their surroundings scales linearly with nanotube wall curvature and can be boosted/reversed by appropriate outer wall functionalization. We predict and verify computationally that in double-wall nanotubes, flexoelectricity causes a straddling to staggered band gap transition. Accurate band structure calculations taking into account quasiparticle corrections and excitonic effects lead to an estimated critical diameter of ∼24 Å for this transition. Double-wall nanotubes above this diameter have staggered band alignment and could be potentially used for charge separation in photovoltaic devices." @default.
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• W3011979714 date "2020-03-10" @default.
• W3011979714 modified "2023-10-06" @default.
• W3011979714 title "Flexoelectricity and Charge Separation in Carbon Nanotubes" @default.
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• W3011979714 doi "https://doi.org/10.1021/acs.nanolett.9b05345" @default.
• W3011979714 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32155086" @default.
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