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What is DFT Study of Noble Metal Clusters on ZnO about?

This study uses density functional theory to examine the adhesion of small noble metal clusters (Ag, Au, Cu, Pt) containing 3, 5, or 7 atoms on polar oxygen-terminated ZnO surfaces. The ZnO surface thickness is varied from 1 to 3 double layers. Calculations show the clusters strongly adhere to the ZnO surface, with adhesion energy decreasing with cluster size. The presence of an oxygen defect under the cluster affects adhesion energy in irregular ways depending on the metal. Cluster shape depends on size an

Author

weltmzab

Language

EN