Fig. 4: Calculated electronic properties of Cu4/Fe0.3Mo0.7O2@C.
From: Subnanometric Cu clusters on atomically Fe-doped MoO2 for furfural upgrading to aviation biofuels
Top view of the charge densities of a MoO2 and b Fe0.3Mo0.7O2. Top view (c, d), and side view (g, h) of the calculated charge transfer difference between subnanometric Cu4 cluster and MoO2 (c and g) or Fe0.3Mo0.7O2 (d and h). 2D charge density distributions of MoO2 (e) and Fe0.3Mo0.7O2 (f). The isosurface value is set to be 0.005 e/Å3 and the yellow and cyan areas refer to the charge accumulation and depletion, respectively. Cu (blue), Fe (green), Mo (purple), and O (red).
