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Comparative study on the structure and properties of small Cn and NaCn clusters

  • Clusters and Nanostructures
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Abstract.

The structures, binding energies, and electronic properties of Cn and NaCn (n=2–12) clusters have been systematically investigated using density functional theory (DFT). A number of previously undiscovered isomers of NaCn clusters are reported, including fan-like, linear and three-dimensional structures. Moreover, NaCn clusters with even n are found to be more stable than those with odd n, in contrast with the case of Cn clusters.

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Authors and Affiliations

  1. Department of Physics, East China University of Science and Technology, Shanghai, 200237, P.R. China

    X. Liang, Y.-H. Luo, X.-J. Feng, T. T. Cao & L. X. Zhao

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  1. X. Liang
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  2. Y.-H. Luo
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  3. X.-J. Feng
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  4. T. T. Cao
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  5. L. X. Zhao
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Correspondence to X. Liang.

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Liang, X., Luo, YH., Feng, XJ. et al. Comparative study on the structure and properties of small Cn and NaCn clusters. Eur. Phys. J. D 46, 93–101 (2008). https://doi.org/10.1140/epjd/e2007-00299-9

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  • DOI: https://doi.org/10.1140/epjd/e2007-00299-9

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