P-doped MoS2/Ni2P/Ti3C2Tx heterostructures for efficient hydrogen evolution reaction in alkaline media.

By combining the advantages of doping to change the electronic structure of molybdenum disulfide (MoS₂), transition metal phosphides, and MXene, we proposed the idea of designing and preparing a new type of composite material, P-doped MoS₂/Ni₂P/Ti₃C₂T_x heterostructures (denoted as P@MNTC), to serve as the hydrogen evolution reaction (HER) catalyst of electrochemical water splitting. The as-prepared P@MNTC heterostructures show a significant HER activity with an overpotential of 120 mV at 10 mA cm^–2 in alkaline electrolyte, with decreasing 105 and 125 mV compared with those of MoS₂ and MXene, respectively. The density functional theory indicates that the P doping and synergy effect of Ti₃C₂T_x can enhance the activation of MoS₂ and thus promote dissociation and absorption of H₂O during HER process. This strategy provides a promising way to develop high-efficiency MoS₂- and Ti₃C₂T_x-based composite catalysts for alkaline HER. [ABSTRACT FROM AUTHOR]