The atomic and electronic structures of Pb bilayer/Pt（111） are investigated with two theoretical calculations. We find that the stable （2 × 2）/（3 × 3） Pb/Pt（lll） structure is a promising candidate fo...The atomic and electronic structures of Pb bilayer/Pt（111） are investigated with two theoretical calculations. We find that the stable （2 × 2）/（3 × 3） Pb/Pt（lll） structure is a promising candidate for being used as a template with self-organized ordered Pb semi-cluster array on the first Pb monolayer. This stable structure can realize the ordered Au single-atom array around the Pb semi-clusters that can cause selective adsorption of noble atoms. The size of Pb magic number semi-cluster plays a more important role in determining the periodicity of the template than the lattice constant misfit between the substrate and the overlayer. This leads to quite a different periodicity between the two stable templates, which are （2 × 2）/（3 × 3） Pb/Pt（111） and Pb/Cu（111）. Therefore, by considering the size of the stable semi-clusters and carefully selecting different substrate materials, we can tune the density of Pb semi-clusters as the nucleation points and then tune the periodicity of the stable template.展开更多
基金supported by the National Natural Science Foundation of China (Grant No. 50531050)the National Basic Research Program of China (Grant No. 2006CB605100)+1 种基金the Natural Science Foundation for Postdoctoral Scientists of China (GrantNo. 20090450426)the CRI of UNC-Charlotte
文摘The atomic and electronic structures of Pb bilayer/Pt（111） are investigated with two theoretical calculations. We find that the stable （2 × 2）/（3 × 3） Pb/Pt（lll） structure is a promising candidate for being used as a template with self-organized ordered Pb semi-cluster array on the first Pb monolayer. This stable structure can realize the ordered Au single-atom array around the Pb semi-clusters that can cause selective adsorption of noble atoms. The size of Pb magic number semi-cluster plays a more important role in determining the periodicity of the template than the lattice constant misfit between the substrate and the overlayer. This leads to quite a different periodicity between the two stable templates, which are （2 × 2）/（3 × 3） Pb/Pt（111） and Pb/Cu（111）. Therefore, by considering the size of the stable semi-clusters and carefully selecting different substrate materials, we can tune the density of Pb semi-clusters as the nucleation points and then tune the periodicity of the stable template.
