Stable 1T-MoS₂ by Facile Phase Transition Synthesis for Efficient Electrocatalytic Oxygen Evolution Reaction

The 1T phase of MoS₂ exhibits much higher electrocatalytic activity and better stability than the 2H phase. However, the harsh conditions of 1T phase synthesis remain a significant challenge for various extensions and applications of MoS₂. In this work, a simple hydrothermal-based synthesis method for the phase transition of MoS₂ is being developed. For this, the NH₂-MIL-125(Ti) (Ti MOF) is successfully utilized to induce the phase transition of MoS₂ from 2H to 1T, achieving a high conversion ratio of ≈78.3%. The optimum phase-induced MoS₂/Ti MOF heterostructure demonstrates enhanced oxygen evolution reaction (OER) performance, showing an overpotential of 290 mV at a current density of 10 mA cm⁻². The density functional theory (DFT) calculations are demonstrating the benefits of this phase transition, determining the electronic properties and OER performance of MoS₂.