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

Abstract By combining the advantages of doping to change the electronic structure of molybdenum disulfide (MoS 2 ), transition metal phosphides, and MXene, we proposed the idea of designing and preparing a new type of composite material, P‐doped MoS 2 /Ni 2 P/Ti 3 C 2 T 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 MoS 2 and MXene, respectively. The density functional theory indicates that the P doping and synergy effect of Ti 3 C 2 T x can enhance the activation of MoS 2 and thus promote dissociation and absorption of H 2 O during HER process. This strategy provides a promising way to develop high‐efficiency MoS 2 ‐ and Ti 3 C 2 T x ‐based composite catalysts for alkaline HER.