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Stoichiometry-governed interfacial synergy in a multi-dimensional Ni-MoxC heterostructure for efficient H2O2 electrosynthesis.

Created on 27 Jul 2026

Authors

Hui Wei, Changmin Zhu, Xu Zhang, Yan Xu, Hanwen Tang, Jing Li, Xiaoyong Xu

Published in

Dalton transactions (Cambridge, England : 2003). Jul 27, 2026. Epub Jul 27, 2026.

Abstract

The electrochemical synthesis of hydrogen peroxide via the two-electron oxygen reduction reaction (2e- ORR) represents a sustainable alternative to the energy-intensive anthraquinone process. Its viability hinges on developing cost-effective catalysts with high activity and selectivity. Here, we report a rationally designed multi-dimensional heterostructure Ni-MoxC, composed of zero-dimensional Ni and MoxC nanoparticles and two-dimensional carbon sheets. By systematically tuning the Mo/Ni atomic ratio, we identify a volcano-type dependence of the 2e- ORR performance on catalyst composition. The optimal Ni-MoxC-10 catalyst exhibits exceptional selectivity for H2O2 (>93%) and remarkable stability over 27 hours of operation. Mechanistic investigations reveal that the performance apex arises from a synergistic interfacial effect induced by the precise stoichiometry. The optimal Mo/Ni ratio maximizes the formation of an active Ni-MoxC heterointerface, which collectively optimizes the adsorption energy of the *OOH intermediate, suppresses H2O2 decomposition, and facilitates rapid proton/electron transfer. This work highlights the critical role of compositional tuning in maximizing interfacial synergy within complex heterostructures, providing a guiding principle for the design of advanced electrocatalysts for on-demand H2O2 production.

PMID:
42504579
Bibliographic data and abstract were imported from PubMed on 27 Jul 2026.

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