Two-dimensional cyanates: stabilization through hydrogenation.

  • L. Tsetseris
  • Published 2016 in Physical chemistry chemical physics : PCCP


According to first-principles calculations, it should be possible to grow two-dimensional (2D) forms of copper thio-cyanate (CuSCN) and copper seleno-cyanate (CuSeCN) since their energies are only marginally higher than those of their most stable three-dimensional (3D) wurtzite structures. Here we show using the same theoretical approach that chemisorption… (More)
DOI: 10.1039/c6cp02613c


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Cite this paper

@article{Tsetseris2016TwodimensionalCS, title={Two-dimensional cyanates: stabilization through hydrogenation.}, author={L. Tsetseris}, journal={Physical chemistry chemical physics : PCCP}, year={2016}, volume={18 21}, pages={14662-6} }