Fig. 4: Theoretical calculations of the catalytic sites in MoS2 for HER.
From: Engineering grain boundaries at the 2D limit for the hydrogen evolution reaction
a Schematic of MoS2 with an illustration of the main types of catalytically active sites for the hydrogen evolution reaction (HER) including: basal plane atomic sites, edges, and GBs. b corresponding ∆GH of various types of catalytically active sites in MoS2 catalysts. Some types of GBs (e.g., 844, 6–8, and 5–7) show better electrocatalytic activity than edges.
