Fig. 5: DFT simulation findings of Ru0.5Ir0.5O2. | Nature Communications

Fig. 5: DFT simulation findings of Ru0.5Ir0.5O2.

From: Stable and oxidative charged Ru enhance the acidic oxygen evolution reaction activity in two-dimensional ruthenium-iridium oxide

Fig. 5: DFT simulation findings of Ru0.5Ir0.5O2.The alternative text for this image may have been generated using AI.

a Atomistic structure and Edft of the Ru0.5Ir0.5O2 (−331.4 eV). Atomistic structures of C-IrO2 (b) and C-RuO2 (c) (blue, Ru; gray, Ir; red, O). d Schematic illustration of OER mechanism on the Ru0.5Ir0.5O2 (blue, Ru; gray, Ir; red, O; white, H). e The reaction paths on Ru0.5Ir0.5O2 catalyst with the set potential of 0 and 1.23 V. The overpotential (ƞ) is labeled for viewing convenience.

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