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. 2024 May 6;14(10):7901–7906. doi: 10.1021/acscatal.3c04578

Figure 4.

Figure 4

Snapshots from AIMD simulations of oxygen adsorbed on stepped Au(221) (a) and flat Au(111) (b and c). For Au(111), two different oxygen coverages, i.e., 0.19 ML (b) and 0.28 ML (c), are shown. Left, initial oxygen distribution; right, surface after evolution.