Advanced development of grain boundaries in TMDs from fundamentals to hydrogen evolution application

Abstract

Grain boundary (GB), as a kind of lattice defect, widely exists in two-dimensional transition metal dichalcogenides (2D TMDs), which has complex and diverse influences on the physical/chemical properties of 2D TMDs. GBs are universally considered to be a double-edged sword, although some electrical and mechanical properties of 2D TMDs would be adversely affected leading to the reduced overall quality, certain structure-oriented applications could be realized based on its unique properties. In this review, we first detailed the atomic structure characteristics of GBs and the corresponding techniques, then we systematically summarized the methods of introducing GBs into 2D TMDs. Next, we expounded unique electrical, mechanical, and chemical properties of the GBs in 2D TMDs and clarified its internal relationship with the atomic structure. Moreover, the application of GB structure in hydrogen evolution reaction (HER) is also discussed. In the end, we make a conclusion and put forward outlooks, hoping to further promote the basic research of GB and boost the wide application of 2D TMDs.