Fig. 4: Exploring the OER mechanism.
From: Post-oxidation of all-organic electrocatalysts to promote O−O coupling in water oxidation
a Potential-dependent Operando ATR-SEIRAS of O-LZU-190. b CV scans of O-LZU-190 and LZU-190 after the activation (inset: structural transformation of O-LZU-190 during electrochemical processes). c DEMS signals of O2 products for O-LZU-190@CNT using H218O as the electrolyte solvent during seven times of LSV in the potential range of 1.1‒1.7 V versus RHE, with a 5 mV·s−1 scan rate. d Gibbs free energy diagrams of LZU-190 and O-LZU-190 for the OPM pathway. All states corresponding to each reaction step depicted in Fig. 4e (insets: the interatomic distances of O–O coupling in symmetric dual active sites of O-LZU-190 and LZU-190, respectively). e The optimized configurations of key intermediates and transition state (TS) for OPM on LZU-190 (H1−H5, and TS1) and O-LZU-190 (O1–O5, and TS2). TS stands for the transition state. Color codes: blue, C; gray, N; red, O; white, H. f LSV curves for O-LZU-190@CNT and LZU-190@CNT in 1 M KOH with (red lines) and without methanol (blue lines). Filled area shows the current difference caused by MOR. g PDOS of p orbital for C atoms in O-LZU-190 and LZU-190, ɛp: p-band center. h Schematic p-band diagrams of O-LZU-190 and LZU-190. The bonding and antibonding states after OH adsorption are indicated by σ and σ*, respectively. EF: Fermi level. Source data are provided as a Source Data file.
