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Keywords:

  • CdSe;
  • nanosheets;
  • graphane analogues;
  • ligands;
  • dimensionality
Thumbnail image of graphical abstract

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.