fig20

From: Layered double hydroxide-based single-atom catalysts: precise catalyst design on a two-dimensional ‘atomic canvas’

Figure 20. (A) Calculated adsorption free energy of hydrogen ΔG_H* values of thirteen DM-Klein edge and Pt (111) surface. The blue shaded region indicates that |ΔG_H*| < 0.15 eV. The band decomposed charge density distributions of the 1T-VS₂ nanoribbon with DM-Klein edges in the energy interval between EF-1.0 eV to EF are shown in the inset. Adsorption energy (ΔE_H*), differential charge density, and Bader charge analysis of (B) DM-Klein edge and (C) ZZ-0% S edge of 1T-VS₂. (A-C) Reprinted with permission from Ref.^[154]. Copyright 2022, Wiley-VCH. ΔG_H*: The adsorption free energy of hydrogen; DM: dimer-like metal; EF: the edge formation energy; ZZ: the zigzag edge.