H-incorporated PdRu electrocatalyst for water splitting under alkaline condition

doi:10.1016/S1872-2067(25)64852-2

Abstract

Abstract:

The hydrogen evolution reaction (HER) in alkaline water electrolysis faces significant kinetic and thermodynamic challenges that hinder its efficiency and scalability for sustainable hydrogen production. Herein, we employed an in-situ synthesis strategy to incorporate H atoms into the PdRu alloy lattice to form H_Inc-PdRu electrocatalyst, thereby modulating its electronic structure and enhancing its alkaline HER performance. We demonstrate that the incorporation of H atoms significantly improves electrocatalytic activity, achieving a remarkably low overpotential of 25 mV at 10 mA cm^‒2 compared with the Pd, Ru and PdRu catalysts while maintaining robust catalyst stability. Operando spectroscopic analysis indicates that H insertion into the H_Inc-PdRu electrocatalyst enhances the availability of H₂O* at the surface, promoting water dissociation at the active sites. Theoretical calculations proposed that the co-incorporating H and Ru atoms induces s-d orbital coupling within the Pd lattices, effectively weakening hydrogen adsorption strength and optimizing the alkaline HER energetics. This work presents a facile approach for the rational design of bimetallic electrocatalysts for efficient and stable alkaline water electrolysis for renewable hydrogen production.

Key words: H-incorporated, PdRu, Hydrogen evolution reaction, Electrocatalyst, Alkaline water electrolysis

Hao Wu, Xian Jiang, Jingyu Lu, Yibo Li, Xinyan Li, Guidong Ju, Rengui Li, Jing Zhang. H-incorporated PdRu electrocatalyst for water splitting under alkaline condition[J]. Chinese Journal of Catalysis, 2025, 79: 91-99.

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URL: https://www.cjcatal.com/EN/10.1016/S1872-2067(25)64852-2

https://www.cjcatal.com/EN/Y2025/V79/I12/91

Figures/Tables 5

Fig. 1. Structural characterization of HInc-PdRu. (a) Schematic of the preparation of HInc-PdRu. TEM image (b), HRTEM images (c,d), HRTEM images (e,f) after noise elimination and corresponding integrated pixel intensities, and SAED characterization (g) of HInc-PdRu. (h) XRD patterns of the catalysts. XPS analysis of HInc-PdRu and PdRu: Pd 3d (i) and Ru 3p (j) XPS spectra.

Fig. 2. HER performance of different electrocatalysts in alkaline electrolyte (1.0 mol L?1 KOH). LSV polarization curves (a), overpotentials at different current densities (b), Tafel plots derived from (a) (c), EIS Nyquist plots of catalysts (d), Cdl values (e), TOF values (f), comparison of the HER performance metrics of different electrocatalysts (g), LSV polarization curves of the catalysts before and after accelerated degradation tests (h), and chronopotentiometry curves at a current density of 10 mA cm?2 (i).

Fig. 3. (a) Faradaic efficiency plots of the HInc-PdRu electrocatalyst at 10 mA cm?2. (b) Arrhenius plots of HInc-PdRu and Pt/C electrocatalysts. LSV (c) and Chronopotentiometry (d) curves of HInc-PdRu electrocatalyst obtained in two-electrode electrolyzes in 1.0 mol L?1 KOH solution.

Fig. 4. Operando ATR-SEIRAS of the electrocatalysts: HInc-PdRu (a,b), PdRu (c,d), and Pd (e,f).

Fig. 5. Theoretical calculations of the HER activity of HInc-PdRu electrocatalyst. (a) Schematic of the optimized model of HInc-PdRu and charge density difference of different atoms in HInc-PdRu (111). (b) Free energy diagram for HER at Pd sites of HInc-PdRu and PdRu. (c) The calculated total density of states.

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