Fig. 1 | Nature Communications

Fig. 1

From: Facilitating nitrogen accessibility to boron-rich covalent organic frameworks via electrochemical excitation for efficient nitrogen fixation

Fig. 1

Computational studies. a Schematic illustration of the electrochemical excitation of COF. b The calculated charge distribution of COF. c Free energy diagrams and d changes of N–N bond length for ammonia synthesis. Molecular dynamics simulation snapshots of e COF and f Eex-COF. g Radial distribution function (RDF) and integrated RDF of nitrogen molecules around different models. The red, green, blue, yellow, and gray spheres represent B, C, N, O, and H atoms, respectively

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