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Full-Text Articles in Physical Sciences and Mathematics
Evidence Of Hollow Golden Cages, Satya S. Bulusu, Xi Li, Lai-Sheng Wang, Xiao Cheng Zeng
Evidence Of Hollow Golden Cages, Satya S. Bulusu, Xi Li, Lai-Sheng Wang, Xiao Cheng Zeng
Xiao Cheng Zeng Publications
The fullerenes are the first “free-standing” elemental hollow cages identified by spectroscopy experiments and synthesized in the bulk. Here, we report experimental and theoretical evidence of hollow cages consisting of pure metal atoms, Au–n (n = 16–18); to our knowledge, free-standing metal hollow cages have not been previously detected in the laboratory. These hollow golden cages (“bucky gold”) have an average diameter >5.5 Å, which can easily accommodate one guest atom inside.
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 …