Fig. 5: In-situ characterization and spin configuration-tuned OER mechanism. | Nature Communications

Fig. 5: In-situ characterization and spin configuration-tuned OER mechanism.

From: Electron–phonon coupling and coherent energy superposition induce spin-sensitive orbital degeneracy for enhanced acidic water oxidation

Fig. 5

a Left: In-situ ATR-SEIRAS measurements in the range of 900−1200 cm−1 at various applied potentials vs. RHE for RuMW-Mn1-xCrxO2. Right: Potential-dependent normalized *OOH peak areas of RuT-Mn1-xCrxO2 (grey line) and RuMW-Mn1-xCrxO2 (black line). b Top: DEMS signals of O2 products for RuMW-Mn1-xCrxO2 in the electrolyte using H216O as the solvent during three cycles of LSV in the potential range of 1.1–1.75 V vs. RHE, with a scan rate of 5 mV s−1. Bottom: The 34O2:32O2 and 36O2:32O2 signal ratios of RuMW-Mn1-xCrxO2 during the OER process with H216O as the electrolyte solvent. c Computed free energies of intermediates for the AEM-type OER at different reactive sites and spin states. U = 1.23 V vs. RHE. Charge density difference (d) and relative COHP of adsorbed *OOH (e) onto the Ru site at RuMW-Mn1-xCrxO2 with LS and HS states. The yellow regions in d show charge depletion, while the blue regions show charge accumulation. MS mass spectrometry, arb. units, arbitrary units, LS low spin, HS high spin, EF fermi level.

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