Fig. 9: Generation of low-energy cluster/adsorbate ensemble. | Nature Communications

Fig. 9: Generation of low-energy cluster/adsorbate ensemble.

From: Deducing subnanometer cluster size and shape distributions of heterogeneous supported catalysts

Fig. 9

Schematic showing the steps of the rejection-free Grand Canonical Monte Carlo (GCMC) scheme, with an example of triangular mesh generated by Delaunay Triangulation to determine all surface atoms and possible adsorption sites on Pd20/CeO2. Vertices, edges, and centroids of the triangles correspond to atop, bridge, and hollow sites, respectively.

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