Fig. 5: Sub-nanometric orbital overlap in CIN mediated by cluster.
From: Single-layer cluster ionic-chain networks with tetragonal pores
a The differential charge density of the Mn-CIN. The regions with electron loss are shown in blue, and the isosurface is 0.0003 e Bohr−3. b The Bader charge variation of Mn atoms at corresponding positions in (a) after losing one (green dot) and two electrons (blue dot) in the Mn-CIN. c ELF results from one fragment of Mn-CIN. The slice is perpendicular (a) to the paper surface. d The PDOS of Mn(H2PO4)2·2H2O crystals (up) and Mn-CIN (down); the Fermi level was set as 0 eV as shown by dashed lines.
