Two-Dimensional CdSe Nanosheets and their Interaction with Stabilizing Ligands

Authors

  • Xiao-Dong Wen,

    1. Department of Chemistry and Chemical Biology, Cornell University, Baker Laboratory, Ithaca, NY 14853-1301,USA
    2. Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
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  • Roald Hoffmann,

    Corresponding author
    1. Department of Chemistry and Chemical Biology, Cornell University, Baker Laboratory, Ithaca, NY 14853-1301,USA
    • Department of Chemistry and Chemical Biology, Cornell University, Baker Laboratory, Ithaca, NY 14853-1301,USA.
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  • N. W. Ashcroft

    1. Laboratory of Atomic and Solid State Physics and Cornell Centre for Materials Research, Cornell University, Clark Hall, Ithaca, NY 14853-2501, USA
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Abstract

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Single layer two-dimensional CdSe nanosheets are explored theoretically, highlighting the role of the coordinating (and stabilizing) ligands. Four isomeric CdSe single sheets bonded to H atoms are studied (CdSeH2), as are four similar sheets with NH3 coordinated to the Cd atoms. These are quite corrugated, unlike the pristine sheets, and have a different stability order from their graphane analogs.

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