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arXiv · 1612.02054

Charge-induced electrochemical actuation of armchair carbon nanotube bundles

Nguyen T. Hung·Ahmad R. T. Nugraha·Riichiro Saito
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Abstract

The effects of charge doping on the structural deformation and on the electronic structure of armchair single wall carbon nanotube (SWNT) bundles are investigated through first-principles calculations. In particular, we select a (6; 6) SWNT as an example and we calculate a mechanical deformation in the SWNT bundles as a function of gate voltage, which could serve as a basis of the electromechanical actuators in an artificial muscle. We find that the magnitudes of the actuation responses such as strain and stress of the (6; 6) SWNT bundle in the case of hole doping are substantially larger than those of electron doping. The (6; 6) SWNT bundle also exhibits a low-symmetry and opens an energy band gap of about 0.41 eV around the charge neutral condition, which allows a semiconductor-to-metal transition in the electron-doping regime when the relative shift of the Fermi energy goes up to 0.60 eV, above which the Young modulus increases.

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Nguyen T. Hung, Ahmad R. T. Nugraha, Riichiro Saito. 2016-12-06. Charge-induced electrochemical actuation of armchair carbon nanotube bundles. https://doi.org/10.1016/j.carbon.2017.03.036

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