Fig. 7: DFT calculations of DOS and charge density difference of Py-TFImI-25 COF.
From: Efficient and selective capture of thorium ions by a covalent organic framework
a–f DOS of various metal cations adsorption on Py-TFImI-25 COF. The inset shows the calculated isosurface (level 0.007) of charge density difference upon the adsorption of the mental cations on the N atom of imine.
