Comparative Evidence for Electrocatalytic Active-Site Design: Heterogeneity, Generalization, and Governance

Abstract

A central challenge in electrocatalytic active-site design is to compare studies whose mechanisms and validation settings do not share a single denominator. The present review uses cooperative atomically dispersed Fe-N4 and Sn-Nx coordination sites for oxygen reduction and chalcogenide-anion regulation of Ni2Mo6Te8 stability and nitrate-to-ammonia selectivity as focal cases for a boundary-aware synthesis. Two target papers are triangulated against 12 locally validated publications. The comparison follows coordination structure, adsorption energetics, selectivity, operando evidence, durability and deliberately separates mechanistic interpretation from performance ranking, because the latter can conceal incompatible experimental or operational conditions. Across the evidence base, the decisive issue is alignment: coordination structure shapes what is observed, adsorption energetics shapes how it is compared, and durability governs whether the conclusion can be transferred. Uncertainty is most informative when reported as part of the result rather than treated as a postscript. The resulting framework supports reproducible comparison while preserving differences between study designs, and it identifies concrete points at which transfer claims should be narrowed or retested.