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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.
- Addressing complexity in catalyst design: From volcanos and scaling to ...
Volcano plots and scaling relations are commonly used to...
- Addressing complexity in catalyst design: From volcanos and scaling to ...
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.
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.
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.
Our finding not only opens up a novel strategy to tailor the electronic structure of an atomic site toward boosted activity but also provides new insights into the fundamental understanding of diatomic sites for ORR electrocatalysis.
8 de nov. de 2019 · The volcano plot obtained for the 17 molecular catalysts is shown in Fig. 4a, where, surprisingly, none of them are predicted to have an outstanding OER activity.
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.
