High-Pressure Polymorph of NaBiO3

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• 作者：Octavianti Naa ; Nobuhiro Kumada ; Akira Miura ; Takahiro Takei ; Masaki Azuma ; Yoshihiro Kusano ; Kengo Oka
• 刊名：Inorganic Chemistry
• 出版年：2016
• 出版时间：June 20, 2016
• 年：2016
• 卷：55
• 期：12
• 页码：5747-5749
• 全文大小：220K
• 年卷期：0
• ISSN：1520-510X

文摘

A new high-pressure polymorph of NaBiO₃ (hereafter β-NaBiO₃) was synthesized under the conditions of 6 GPa and 600 °C. The powder X-ray diffraction pattern of this new phase was indexed with a hexagonal cell of a = 9.968(1) Å and c = 3.2933(4) Å. Crystal structure refinement using synchrotron powder X-ray diffraction data led to R_WP = 8.53% and R_P = 5.55%, and the crystal structure was closely related with that of Ba₂SrY₆O₁₂. No photocatalytic activity for phenol decomposition was observed under visible-light irradiation in spite of a good performance for its mother compound, NaBiO₃. The optical band-gap energy of β-NaBiO₃ was narrower than that of NaBiO₃, which was confirmed with density of states curves simulated by first-principles density functional theory calculation.