Tailoring of hierarchical MoZrO3/MoS2 for unrivaled efficient Electrocatalytic oxygen evolution process

Abstract

The fabrication of earth-abundant and highly efficient electrocatalysts to replace benchmark materials such as RuO₂ and IrO₂ has attained significant attention from experts for advancing clean energy processes, particularly through the oxygen evolution reaction (OER) in alkaline solutions. Presented work describes a new two-dimensional MoS₂ nanoflower doped with molybdenum and zirconium (MoZrO₃/MoS₂) synthesized via a facile and efficient in situ hydrothermal strategy. This robust and cost-effective electrocatalyst demonstrates superior activity, stability, and scalability for electrocatalytic applications. The MoZrO₃/MoS₂ nanostructure exhibits a highly synergistic interaction, probably due to the incorporation of the metallic MoZrO₃ phase, which significantly enhances electronic conductivity, reduces charge transfer resistance, and maximizes active site availability. Comprehensive characterization, including FTIR, XRD, and SEM analyses, confirmed the crystalline and structural integrity of the synthesized material. Notably, the MoZrO₃/MoS₂ composite achieved an impressively low overpotential of 0.252 V at 10 mA cm⁻², outperforming both pristine MoS₂ (0.303 V) and CuZrO₃/MoS₂ (0.283 V) in identical conditions. The nanocomposite also exhibits exceptional kinetics with a Tafel slope of 43.5 mV dec⁻¹ and robust long-term stability, maintaining performance over 24 h of continuous operation. DFT analysis further validates the synergistic interaction by revealing reduced bandgap, enhanced density of states, and favorable charge distribution at the interface, supporting the experimentally observed high OER activity. These remarkable properties highlight the ability of MoZrO₃/MoS₂ as a stable, efficient, scalable and heterostructured electrocatalyst for OER. This study not only highlights a promising pathway for the design earth-abundant materials electrocatalysts as alternative to noble-metal-based catalysts for future innovations in cost-effective and sustainable energy conversion technologies.