Fig. 6: The most stable configuration of aniline adsorbed on anatase-TiO2 (101) surface.
From: Streamlining the synthesis of amides using Nickel-based nanocatalysts
a aniline is interacting with a Ti4+ ion, and (b) aniline is interacting with a Ti3+ ion in anatase-TiO2 (101) surfaces. The inset was the different charge density of the complex. Blue areas represent electron depletion and red areas means electron accumulation with an isosurface value of 0.1 electrons/Å3.
