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首页> 外文期刊>Chemistry of Materials: A Publication of the American Chemistry Society >Decomposition of organic compounds over NaBiO3 under visible light irradiation
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Decomposition of organic compounds over NaBiO3 under visible light irradiation

机译:NaBiO3上可见光下有机化合物的分解

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We investigated photophysical and photooxidation properties of NaBiO3 containing Bi (V) for the first time. The optical absorption of NaBiO3 was characterized by the sharp decrease at about 470 nm followed by the long tail up to 600 nm. The photooxidation activity evaluated from the decomposition of gaseous 2-propanol and methylene blue (MB) dye in the liquid phase revealed that NaBiO3 is a prominent material for photooxidation of organics in the range of visible light. In addition, we calculated the electronic structures of bulk NaBiO3 in the framework of density functional theory (DFT). As a result, strong dispersion from the hybridized Na 3s and O 2p orbitals that was identified at the bottom of the conduction band (CB) was considered to contribute to the high activity of this material.
机译:我们首次研究了含Bi(V)的NaBiO3的光物理和光氧化特性。 NaBiO 3的光吸收的特征是在约470 nm处急剧下降,然后长至600 nm。由气态2-丙醇和亚甲基蓝(MB)染料在液相中的分解所评估的光氧化活性表明,NaBiO3是可见光范围内有机物光氧化的重要材料。此外,我们在密度泛函理论(DFT)的框架内计算了块状NaBiO3的电子结构。结果,认为在导带(CB)底部发现了来自杂化的Na 3s和O 2p轨道的强分散,有助于该材料的高活性。

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