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Guanidine-based biomimetic hydrides for carbon dioxide reduction.

Junbo ChenHai-Bo YuDavin TanRichmond Lee
Published in: Chemical communications (Cambridge, England) (2023)
The feasibility of various bespoke guanidine-based compounds as biomimetic hydrides were assessed by Density Functional Theory (DFT). The results predicted that tricyclic pentanidine hydrides are viable candidates to reduce CO 2 to HCOO - and be regenerated electrochemically, demonstrating a recyclable and sustainable method to achieve metal-free electrochemical reduction of CO 2 .
Keyphrases
  • density functional theory
  • carbon dioxide
  • molecular dynamics
  • gold nanoparticles
  • molecularly imprinted
  • mass spectrometry