Detail:
Abstract: As a promising non-noble-metal material for hydrogen evolution reaction (HER), the MoS2 has received significant research interests. The pristine MoS2 is known to contain a catalytically inert basal plane. Activating the basal planes of MoS2 via a phase structure engineering strategy could further improve its catalytic activity in the HER activity. However, the fundamental mechanism about the activity enhancement of MoS2 remained unclear. Here, we report preparation of a highly stable 1T phase MoS2 incorporated in the 1H MoS2 nanosheets by controlling surface atomic vacancy and strain. The joint experimental and theoretical results revealed that the 1T-MoS2 transformed into the distorted 1T’ phase driven by the hydrogen atom adsorption. The superior catalytic activity of MoS2 in the photochemical environment is attributed to the formation of 1T’ phase. These studies suggest a novel catalytic mechanism of the metallic 1T-MoS2. That is, the active sites are self-optimizing” in the process of catalytic reactionwas put forward.This work deepens the understanding the phase transformation engineering enhance the PHER process.