Modulating interfacial charge distribution of single atoms confined in molybdenum phosphosulfide heterostructures for high efficiency hydrogen evolution

The interfacial charge of active centers in heterogeneous catalysts modulates the sorption?desorption of intermediates. However, it is challenging to bridge the interfacial charge distribution and catalytic activity. Herein, a facile galvanostatic deposition strategy is used to anchor cost-effective ruthenium (Ru) single atoms (SAs) into MoS2/MoP heterosturctures on carbon cloth (CC@MoS2/MoP/Ru SAs). Electrochemical test of CC@MoS2/MoP/ Ru SAs reveals superior alkaline hydrogen evolution reaction (HER) activity with low overpotential of 45 and 114 mV at the current of -10 and -100 mA cmgeo?2 , respectively. The CC@MoS2/MoP/Ru SAs also exhibit high stability for at least 100 h. Dual-pathway kinetic analysis and density functional theory (DFT) calculation clearly unravel the importance of synergy and charge redistribution between the interfaces of MoS2/MoP and Ru SAs, which modulate adsorption and desorption of intermediates. This work correlates the synergy in conjunction with interfacial charge distribution to promote catalytic activity, taking as a guide to get new insight into the design of advanced electrocatalysts.

Automated summary

The study successfully anchored cost-effective ruthenium single atoms into MoS2/MoP heterosturctures using a facile galvanostatic deposition strategy, resulting in CC@MoS2/MoP/Ru SAs, which exhibited superior alkaline hydrogen evolution reaction activity and high stability under electrochemical testing.