Efficient Hydrogen Production on a 3D Flexible Heterojunction Material

Abstract

A novel heterojunction material, with electron-rich graphdiyne as the host and molybdenum disulfide as the catalytic center (eGDY/MDS), to produce ultraefficient hydrogen-evolution reaction (HER) at all pH values is described. It is a surprise that the metallic conductor combined from two semiconductor materials, eGDY and MDS, leads to optimal free energy (ΔG_H ) and enhancement in the intrinsic HER catalytic performances. The calculated and experimental results indicate that eGDY/MDS shows greatly enhanced catalytic activities and high stabilities in both acidic and alkaline conditions; these approach the outstanding performances of the state-of-the-art noble-metal-based catalysts. The eGDY/MDS shows better activity than Pt/C in alkaline media and remarkable enhancement in photocurrent density. The high catalytic activity of eGDY/MDS originates from facilitated electronic transfer kinetics, high conductivity, more exposed catalytic active sites, and excellent mass transport.