Fig. 7: Mechanistic study and DFT calculations. | Nature Communications

Fig. 7: Mechanistic study and DFT calculations.

From: Electrocatalytic N–C–N coupling over a hierarchically ordered open single-atom superstructure toward organonitrogen synthesis

Fig. 7

a In situ ATR-IR spectra for the electrosynthesis of TMDM from methanol and DMA over Zn1/h-OPNC; (b) control experiments for the synthesis of TMDM; (c) schematic representation of the electrosynthesis of TMDM; (d) Gibbs free energy for the formation of *CH2O over the Zn-N3 and Zn-N4 model configurations; (e) projected density of states (PDOS) for Zn-3d orbitals and C-2p orbitals of *CH2O.

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