fig9

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

Figure 9. (A) The optimized atomic configurations of ORR elemental steps on the NiFe-LDH/Fe1-N-C; (B) Calculated energy barrier of ORR on NiFe-LDH/Fe₁-N-C and Fe₁-N-C; (C) Side view of differential charge density by Löwdin charge analysis of NiFe-LDH/Fe₁-N-C heterostructures with an isosurface value of 0.005 e Å^-3. (D) d-Band centers for Fe 3d of NiFe-LDH/Fe₁-N-C and Fe₁-N-C. (A-D) Reprinted with permission from Ref.^[96]. Copyright 2023, Wiley-VCH. LDH: Layered double hydroxide.