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Enabling Efficient Oxygen Reduction Reaction with Pt Single Atoms on Carbide: A Phosphorus-Doped Mo <sub>2</sub> C Interface Strategy

Changwei Shi, Xingmao Jiang, Xueqiang Qi, Congcong Xing, Xiaolei Fan, Zhuo Chen, Xiang Wang, Andreu Cabot

2025Nano Letters7 citationsDOIOpen Access PDF

Abstract

High Resolution Image Download MS PowerPoint Slide Developing efficient and cost-effective oxygen reduction reaction (ORR) catalysts is a critical process in electrochemical energy conversion technologies. Here, we report a new heterostructured electrocatalyst composed of phosphorus-doped Mo 2 C coupled with atomically dispersed Pt sites (Pt/P-Mo 2 C). This is realized through a confined polymerization approach using heteropolyacid–pyrrole complexes and subsequent covalent anchoring. Phosphorus doping plays a crucial role in enhancing the interfacial electron density and enabling strong electronic interactions with Pt atoms. The results showed that the interfacial electronic structure of Pt is significantly modulated, with a downshifted d-band center that optimizes the adsorption/desorption energetics of ORR intermediates. As a result, Pt/P-Mo 2 C demonstrates outstanding ORR activity in alkaline media, achieving a half-wave potential ( E 1/2 ) of 0.91 V along with excellent stability. This work presents a generic strategy for integrating single-atom noble metals with carbide supports and highlights the role of interfacial electron engineering in the design of next-generation ORR electrocatalysts.

Topics & Concepts

ElectrocatalystCatalysisMaterials scienceElectrochemistryOxygen reduction reactionDensity functional theoryCarbideElectronic structureCovalent bondChemical engineeringDopingPolymerizationNanotechnologyRedoxWork (physics)Oxygen reductionInorganic chemistryOxygenPlatinumTransition metalChemical physicsChemistryElectrocatalysts for Energy ConversionCO2 Reduction Techniques and CatalystsAmmonia Synthesis and Nitrogen Reduction