Selectivity trends in two-electron oxygen reduction: insights from two-dimensional materials.

Advancing the discovery of novel materials for electrosynthesis of hydrogen peroxide (HO) the two-electron oxygen reduction reaction (2e-ORR) while rationalizing and quantifying selectivity trends has been an ambitious objective. A recently introduced selectivity descriptor, ΔΔ, published in 2023, 3(3), 100568, utilizes thermodynamic analysis of adsorption free energies of key ORR intermediates (Δ and Δ ) along with the free energy of HO to quantify selectivity and establish trends. This model has been successfully applied to a large database of binary alloys, demonstrating strong potential for predicting selective materials 2024, 63, e202404677.