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Contribution of Chirality to the Adsorption of a Kr Atom on a Single Wall Carbon Nanotube

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Abstract

Recent theoretical and simulation studies (Lueking et al. Phys Rev B 75:195425, 2007; Kim et al. J Phys Chem 115:7249–7257, 2011) on the adsorption of Kr on suspended nanotubes yielded different commensurate phases at submonolayer coverage than those found in a pioneering experiment (Wang et al. Science 327:552–555, 2010). This controversy between calculations and experiments is yet to be resolved. One of the tentative explanations of the apparent discrepancy is the possibly different chirality as the chirality of the nanotubes used in the experiment is not known. To address the question on chirality, we calculated the adsorption potential of krypton atoms on two sets of single wall carbon nanotubes of same radii with distinct chiralities. We found novel symmetries of the adsorption sites on a nanotube, which systematically vary depending on its chirality with an unexpected, yet intuitive delicacy. The same approach is equally feasible for other gases (Ar, Xe, CH\(_{4}\), etc.). The results of classical grand canonical Monte Carlo simulations confirm the predicted behavior of adsorption phases.

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Acknowledgments

Kim acknowledges the support from Louisiana Board of Regents-RCS Grant (LEQSF(2012-15)-RD-A-19). Mbaye and Gatica acknowledge the support from NSF (DMR 1006010). Kim thanks Milton Cole for helpful comments on the earlier version of the manuscript.

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Authors and Affiliations

  1. Department of Chemistry and Physics, Southeastern Louisiana University, Hammond, LA , 70402, USA

    Hye-Young Kim & Eric C. Booth

  2. Department of Physics and Astronomy, Howard University, Washington, DC , 20059, USA

    Mamadou T. Mbaye & Silvina M. Gatica

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  1. Hye-Young Kim
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  2. Eric C. Booth
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  3. Mamadou T. Mbaye
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  4. Silvina M. Gatica
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Correspondence to Hye-Young Kim.

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Kim, HY., Booth, E.C., Mbaye, M.T. et al. Contribution of Chirality to the Adsorption of a Kr Atom on a Single Wall Carbon Nanotube. J Low Temp Phys 175, 590–603 (2014). https://doi.org/10.1007/s10909-014-1095-7

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  • DOI: https://doi.org/10.1007/s10909-014-1095-7

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