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

ABSTRACT

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.