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

<div>The stage 2 reaction path of Fe<sub>4</sub>S<sub>4</sub> clusters with O<sub>2</sub> on the nine-fold state potential energy surface.</div>

International Journal of Chemical Engineering

Figure 7: Interaction Study of Oxygen and Iron-Sulfur Clusters Based on the Density Functional Theory 