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Tuning the Charge Transport in Nickel Salicylaldimine Polymers by the Ligand Structure.

Daniil A LukyanovVladimir V SizovAlexey I VolkovEvgenii V BeletskiiAndrei N YankinElena V AlekseevaOleg V Levin
Published in: Molecules (Basel, Switzerland) (2022)
The conductivity of the polymeric energy storage materials is the key factor limiting their performance. Conductivity of polymeric NiSalen materials, a prospective class of energy storage materials, was found to depend strongly on the length of the bridge between the nitrogen atoms of the ligand. Polymers obtained from the complexes containing C 3 alkyl and hydroxyalkyl bridges showed an electrical conductivity one order of magnitude lower than those derived from more common complexes with C 2 alkyl bridges. The observed difference was studied by means of cyclic voltammetry on interdigitated electrodes and operando spectroelectrochemistry, combined with density functional theory (DFT) calculations.
Keyphrases
  • density functional theory
  • molecular dynamics
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