Fig. 5: Electron density difference of Fe(CO)3 on the surface and on top of the CO adlayer.
From: Computational demystification of iron carbonyls formation under syngas environment
Top and side views of electron density difference isosurface at 0.02 eV of Fe(CO)3 adsorbed on (a) Fe(110) surface with 2/3 ML CO coverage, (b) on top of CO adlayer. Light blue means charge density depletion, yellow represent charge density accumulation. Color code: oxygen in red, carbon in gray, and iron in brown.
