Hydrothermal growths, optical features and first-principles calculations of sillenite-type crystals comprising discrete MO4tetrahedra
作者： Yonggang Wang , Ran He , Ming Yang , Ting Wen , Hao Zhang
DOI: 10.1039/C1CE06220D
关键词:
摘要: Highly crystalline single crystals of sillenite-type Bi10Cd3O20 and Bi12(BixM1−x)O20 (M = B, Si, P, V, Mn, Fe, Ga, Ge) were successfully grown under mild hydrothermal conditions. Bulk with smallest average size 100 μm preferable shapes can be obtained by optimizing respective growth The morphologies for Bi25FeO40 show regular evolutions along different synthesis routes. Characterizations performed means powder X-ray diffraction analyses, chemical optical spectra first-principles calculations. It is found that all the possess certain transparency distinct absorptions in visible region, corresponding to discrete MO4 tetrahedra crystal lattices. Band gap energies fabricated sillenite vary from approximately 1.66 eV Bi12(Bi0.375Mn0.625)O20 2.85 Bi12GeO20, as estimated absorption data. impacts tetrahedrally coordinated transition-metal cations on their electronic structures investigated computational approaches.
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