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Full-Text Articles in Physical Sciences and Mathematics
Doping Golden Buckyballs: Cu@Au16- And Cu@Au17- Cluster Anions, Lei-Ming Wang, Satya S. Bulusu, Hua-Jin Zhai, Xiao Cheng Zeng, Wang
Doping Golden Buckyballs: Cu@Au16- And Cu@Au17- Cluster Anions, Lei-Ming Wang, Satya S. Bulusu, Hua-Jin Zhai, Xiao Cheng Zeng, Wang
Xiao Cheng Zeng Publications
The discovery of the unique catalytic effects of gold nanoparticles on oxide substrates[1] has stimulated a flurry of research into the structures and properties of free gold nanoclusters, which may hold the key to elucidating the catalytic mechanisms of supported gold clusters. One of the most remarkable results has been the discovery of planar gold cluster anions (Aun-) of up to twelve gold atoms and the 2D to 3D transition for clusters with n larger than 12.[2]– [4] Among larger gold clusters, Au20 has been found to be a perfect tetrahedron.[5] A more recent study of …
Planar-To-Tubular Structural Transition In Boron Clusters: B20 As The Embryo Of Single-Walled Boron Nanotubes, Boggavarapu Kiran, Satya S. Bulusu, Hua-Jin Zhai, Soohaeng Yoo, Xiao Cheng Zeng, Lai-Sheng Wang
Planar-To-Tubular Structural Transition In Boron Clusters: B20 As The Embryo Of Single-Walled Boron Nanotubes, Boggavarapu Kiran, Satya S. Bulusu, Hua-Jin Zhai, Soohaeng Yoo, Xiao Cheng Zeng, Lai-Sheng Wang
Xiao Cheng Zeng Publications
Experimental and computational simulations revealed that boron clusters, which favor planar (2D) structures up to 18 atoms, prefer 3D structures beginning at 20 atoms. Using global optimization methods, we found that the B20 neutral cluster has a double-ring tubular structure with a diameter of 5.2 Å. For the B20- anion, the tubular structure is shown to be isoenergetic to 2D structures, which were observed and confirmed by photoelectron spectroscopy. The 2D-to-3D structural transition observed at B20, reminiscent of the ring-to-fullerene transition at C20 in carbon clusters, suggests it may be considered as the embryo …