fig3

Figure 3. Molecular dynamics (MD) simulations of the cerium oxide nanocluster Ce₄O₈ and Ce₁₄O₂₈ at 1 K and 700 K, including energies during the simulations and snapshots taken every 200 ps. (A and B) MD simulations of Ce₄O₈; (C and D) MD simulations of Ce₁₄O₂₈. Color map: White, Ce atoms; Pink, O atoms.