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10 de sept. de 2022 · Volcano-type activity plot showing both the ORR and the OER. Plots using the standard equilibrium potential are shown (grey, SE). The plots using the calculated equilibrium potential value using PW91 (blue), PBE (green), RPBE (lilac) and BEEF-vdW (red) functionals are also displayed.
In this review, we will discuss the ORR and OER mechanisms, propose the principles for bifunctional electrocatalysts design, and present the recent progress of the state-of-the-art...
15 de abr. de 2024 · Theoretical investigations have aided the search for active material motifs through the construction of volcano plots for the kinetically sluggish OER, which involves the transfer of four proton–electron pairs to form a single oxygen molecule.
1 de ago. de 2023 · Volcano plots and scaling relations are commonly used to design catalysts and understand catalytic behavior. These plots are a useful tool due to their robust and simple analysis of catalysis; however, catalysts that follow the volcano plot paradigm have an inherent limit to their performance.
7 de may. de 2020 · Both a linear OER activity trend that reaches an ideal 0 V overpotential and a new linear scaling relation (free energy difference ΔG OOH = ΔG OH + 2.41 eV) that crosses the region of optimal limiting potentials in the volcano plot of the ORR are associated with our dual-active-site designs.
Here, we show how adsorption-energy scaling relations can be used to build a Sabatier-type bifunctional volcano plot. The plot helps establish thermodynamic limits to bifunctional SACs and suggests that high bifunctional activities are more easily reached by SACs containing several different species.
Theoretical investigations have aided the search for active material motifs through the construction of volcano plots for the kinetically sluggish OER, which involves the transfer of four proton−electron pairs to form a single oxygen molecule.
