Heterointerface-Driven Electronic Modulation in MoO2@N/Mo-ReS2 Hybrid for Efficient Alkaline HER, OER, and Overall Water Splitting

Abstract

Alkaline water electrolysis is an efficient technical pathway for producing high-purity green hydrogen (H-2). However, rational design and fabrication of efficient electrocatalysts are essential for energy conversion. Herein, MoO2 nanoclusters on N/Mo dual-doped ReS2 nanosheets (MoO2@N/Mo-ReS2) develops through a hydrothermal and CVD-nitridation process. This novel strategy leads to modifying the electronic properties of metastable ReS2 through metal/nonmetal doping, heterostructure formation, and basal plane activation, thus increasing the number of electrochemically active sites. The MoO2@N/Mo-ReS2 catalyst is effective at hydrogen-adsorption, has a low energy barrier for water dissociation, and exhibits high electrical conductivity, as demonstrated by density functional theory (DFT) studies. The optimal MoO2@N/Mo-ReS2 heterostructure shows exceptional endurance at low overpotentials of -93 and 249 mV, respectively, and catalytic activity for the evolution of both H-2 and oxygen (O-2) at a current density of 10 mA cm(-2) in an alkaline electrolyte. The performance of the MoO2@N/Mo-ReS2 electrolyzer is 1.54 V at 10 mA cm(-2), which is comparable to a commercial Pt/C||RuO2 (1.56 V at 10 mA cm(-2)) electrocatalyst. This study offers a promising strategy for the development of scalable and efficient electrocatalysts, aiming to enhance their suitability for energy applications.