Novel nanostructures built from Zn12S12 cage-like clusters
نویسندگان
چکیده
منابع مشابه
Cyclic water clusters in tape-like and cage-like structures.
Controlling the ratio of 2,2'-bpy to benzene-1,3,5-tricarboxylic acid produces two interesting complexes, namely [Co(2,2'-bpy)₃]·(SO₄)·8.5H₂O (1) and [Cu₂(BTCA) (2,2'-bpy)₄] (OH)·(2,2'-bpy)₀.₅·14H₂O (2) (H₃BTCA = benzene-1,3,5-tricarboxylic acid, 2,2'-bpy = 2,2'-bipyridine). We report the structural evidence in the solid state of discrete lamellar water cluster conformations. These units are fo...
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We report a new family of M12N12 (M = Al and Ga) cluster-assembled low-density materials with distinguished structures and properties based on state-of-the-art first-principles calculations. Specifically, the thermodynamic stability of the sodalite cage M12N12, with Th symmetry and a large HOMO-LUMO gap, is firstly proved using a first-principles molecular dynamics (FPMD) study. We consider thi...
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Chemical oxidation of a Mo(3)S(7) cluster featuring catecholate ligands, namely [Mo(3)S(7)(Cl(4)cat)(3)](2-) (Cl(4)cat = tetrachlorocatecholate), allows the isolation of a unique nanoscopic molecular cage made of four iodide-bridged Mo(3)S(7) clusters as the kinetically favoured product.
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Laser evaporation of MoS(2) nanoflakes gives negatively charged magic number clusters of compositions Mo(13)S(25) and Mo(13)S(28), which are shown to have closed-cage structures. The clusters are stable and do not show fragmentation in the post-source decay analysis even at the highest laser powers. Computations suggest that Mo(13)S(25) has a central cavity with a diameter of 4.5 A. The nanoshe...
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ژورنال
عنوان ژورنال: Computational and Theoretical Chemistry
سال: 2017
ISSN: 2210-271X
DOI: 10.1016/j.comptc.2016.12.017