Oct 11, 2019 · 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.

Apr 15, 2024 · Central work from the fourth generation of volcano plots demonstrating that the volcano plot of the oxygen evolution reaction is governed by a variety of different reaction mechanisms, and highly active catalysts follow dissimilar pathways as a …

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 bifunctional...

Sep 10, 2022 · Sabatier-type activity plots for the ORR using pristine and strained Pt(111) and small cavities in Pt(111). The volcano lines with gas-phase corrections for O 2 (grey, SE) and without them for the PBE exchange-correlation functional (green) are shown.

Thereinto, Ni2B2 and Co3B4 MBenes can be promising multifunctional HER/OER/ORR electrocatalysts, and Fe3B4 MBene is expected to be a promising bifunctional electrocatalyst for HER/ORR.

Apr 1, 2022 · The volcano plot is a powerful tool to visualize and understand the intrinsic connection between the kinetics and the thermodynamics (metal center redox properties) of electrochemical reactions as the ORR.

May 7, 2020 · Finding cost-effective catalysts to drive oxygen reduction/evolution reactions (ORR/OER) is a highly attractive goal. Most catalysts follow a volcano relationship of performance, making it difficult to search thoroughly enough among the huge number of possible structures to reach the volcano apex.

Jan 12, 2023 · In summary, the ORR volcano plot with ΔG *OOH as a key descriptor is established by DFT calculations to screen for highly selective two-electron electrocatalyst among TMPc catalysts.

Mar 10, 2017 · Local activity of oxygen reduction reaction (ORR) at the middle of the (111)-terraces on n (111) × (111) Pt surfaces (n = 6, 8, 10, 12 and ∞) are examined by using a DFT-based kinetic mean field model.

Nov 6, 2019 · 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.