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. 2021 Jan 15;12:398. doi: 10.1038/s41467-020-20427-2

Fig. 8. Geometry of Au2 clusters on undoped and doped MgO(001) surface.

Fig. 8

Au2 cluster in the non-wetting geometry on the undoped a and the wetting geometry on Al-doped b MgO(001) surface represented by a periodic (3 × 3) supercell. Au atoms are shown in yellow, O in red, Mg in green and Al in blue. The configuration of the gold cluster has been optimized by DFT for a fixed substrate. The structure visualization for periodic systems was carried out using VESTA67.