The development of high-performance bifunctional electrocatalysts is essential for advancing rechargeable zinc–air batteries (ZABs), particularly to overcome the sluggish kinetics of oxygen reduction (ORR) and oxygen evolution (OER) reactions at the air electrode. Here we propose a bifunctional Fe2Mo3O8/MoS2 (Fe-Mo) catalyst anchored to the surface of carbon cloth (CC) with leaf-like Co3O4 as the Fe2Mo3O8/MoS2@ Co3O4 /CC (Fe-Mo@Co-CC) electrode with effective bifunctional catalytic properties. A high-temperature annealing process is employed to synthesize Fe2Mo3O8 on the surface of MoS2 sheets. Density functional theory (DFT) calculations reveal a favorable Gibbs free energy change of −546.25 kcal mol⁻¹, indicating enhanced annealing reaction thermodynamics and improved catalytic efficiency upon Fe2Mo3O8 incorporation. The leaf-like Co3O4 structure offers a large surface area, contributing to an increased number of accessible active sites. Moreover, the collective effects between Fe-Mo and Co3O4 forms an efficient interface that promotes rapid electron and ion transport, thereby enhancing the overall bifunctional electrocatalytic activity. When applied in liquid-phase ZABs, the Fe-Mo@Co-CC delivers a high peak power density of 105.4 mW cm−2 and maintains excellent cycling stability over 5000 cycles. The study emphasizes the significance of the collective effects of transition metal components and the critical role of carbon-based supports in enhancing electrocatalytic performance.
Fe2Mo3O8/MoS2 enhanced leaf-like Co3O4 heterostructures: A superior bifunctional catalyst for rechargeable Zn-Air batteries
Felice Torrisi
Writing – Original Draft Preparation
;
2026-01-01
Abstract
The development of high-performance bifunctional electrocatalysts is essential for advancing rechargeable zinc–air batteries (ZABs), particularly to overcome the sluggish kinetics of oxygen reduction (ORR) and oxygen evolution (OER) reactions at the air electrode. Here we propose a bifunctional Fe2Mo3O8/MoS2 (Fe-Mo) catalyst anchored to the surface of carbon cloth (CC) with leaf-like Co3O4 as the Fe2Mo3O8/MoS2@ Co3O4 /CC (Fe-Mo@Co-CC) electrode with effective bifunctional catalytic properties. A high-temperature annealing process is employed to synthesize Fe2Mo3O8 on the surface of MoS2 sheets. Density functional theory (DFT) calculations reveal a favorable Gibbs free energy change of −546.25 kcal mol⁻¹, indicating enhanced annealing reaction thermodynamics and improved catalytic efficiency upon Fe2Mo3O8 incorporation. The leaf-like Co3O4 structure offers a large surface area, contributing to an increased number of accessible active sites. Moreover, the collective effects between Fe-Mo and Co3O4 forms an efficient interface that promotes rapid electron and ion transport, thereby enhancing the overall bifunctional electrocatalytic activity. When applied in liquid-phase ZABs, the Fe-Mo@Co-CC delivers a high peak power density of 105.4 mW cm−2 and maintains excellent cycling stability over 5000 cycles. The study emphasizes the significance of the collective effects of transition metal components and the critical role of carbon-based supports in enhancing electrocatalytic performance.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
