Research Article

Interaction Study of Oxygen and Iron-Sulfur Clusters Based on the Density Functional Theory

Figure 4

Adsorption structures of O2 on S sites on Fe4S4 clusters and the charge density of each adsorption structure. The bond lengths in the figure are in Å, 1 Å = 1  10−10 m; the blue part of the charge density diagram indicates no charge aggregation, and the red part indicates charge aggregation.