Confined RuP2 Nanoparticles in N,P,S‐Tridoped Carbon as Superior Electrocatalyst for pH‐Wide Hydrogen Evolution

Abstract Hydrogen has been deemed as the ideal energy source and carrier due to its unmatched energy efficiency and sustainability. Nevertheless, there is a pressing need to develop cost‐effective materials to replace costly Pt in the hydrogen evolution reaction (HER), and the electrocatalysts with low overpotential and robust stability under various conditions is a particularly significant concern. In this study, a straightforward and effective approach was proposed for the precise synthesis of RuP 2 nanoparticles encapsulated in N, P, S‐tridoped carbon, which involves utilizing zinc pyrithione, phytic acid and Ru salt as starting materials. The effect of different Ru loadings on the morphology and structures of the composite catalysts was examined carefully. The obtained composites exhibit superior alkaline activity surpassing commercial Pt/C and comparable acidic and neutral activity as well as excellent pH‐wide stability. DFT computations reveal the integration of RuP 2 with tridoped carbon can tailor the electronic structure of Ru active sites by interfacial electron transfer, thus optimizing the adsorption energy and promoting the HER activity. The benign graphitization of doped carbon and porous structures ensure the smooth charge and mass transfer during HER process. The cost‐effective and straightforward synthesis methods presented in this work offer a promising alternative to commercial Pt/C for practical hydrogen‐related applications.