Research progress of transition-metal dichalcogenides for the hydrogen evolution reaction

Abstract

In recent years, transition-metal dichalcogenides (TMDs) have shown great potential as electrocatalysts in the hydrogen evolution reaction (HER). However, shortcomings, such as low active site density and poor electrical conductivity, must be fixed by taking appropriate measures. In this paper, the commonly used synthesis methods of TMDs were first reviewed, and are divided into top-down (including mechanical dissociation and liquid phase dissociation) and bottom-up (including wet chemical synthesis, chemical vapor deposition (CVD) and template-assisted synthesis). Then, according to the current problems of TMDs, five strategies for regulating the HER activities of TMDs are summarized, which are phase engineering, defect engineering, heteroatom doping, heterostructure and strain engineering. This paper focuses on understanding the microscopic changes and regulatory mechanism of TMDs in the regulatory process through density functional theory, and puts forward our own insights. This article can help readers quickly understand the main electrocatalytic mechanisms of TMDs for the HER.