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Silver vanadate nanowires: photocatalytic properties and theoretical calculations

机译:钒酸银纳米线:光催化性能和理论计算

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Silver vanadate (beta-AgVO3) nanowires were synthesized by a hydrothermal method, assisted with surfactant, and evaluated for degradation of 2-propanol under visible-light irradiation. Field-emission scanning electron microscopy (FE-SEM) revealed the beta-AgVO3 nanowires were of uniform size-several micrometers long and similar to 20 nm in diameter. According to the diffuse reflectance spectrum of the beta-AgVO3 nanowires their energy band gap was 2.2 eV, corresponding to a wide range of visible-light absorption up to 550 nm. The electronic structure of beta-AgVO3 was calculated theoretically on the basis of density functional theory. The beta-AgVO3 nanowires catalyst had greater photocatalytic activity than commercial N-TiO2 in the degradation of 2-propanol under visible-light irradiation. This was mainly ascribed to the narrow band gap, good crystallinity, and large surface-to-volume ratio of beta-AgVO3 nanowires.
机译:通过水热法合成钒酸银(β-AgVO3)纳米线,并辅以表面活性剂,并在可见光照射下评估2-丙醇的降解。场发射扫描电子显微镜(FE-SEM)显示,β-AgVO3纳米线的尺寸均匀,长度为几微米,直径相似于20 nm。根据β-AgVO3纳米线的漫反射光谱,其能带隙为2.2 eV,对应于高达550 nm的宽范围可见光吸收。在密度泛函理论的基础上,理论计算了β-AgVO3的电子结构。在可见光照射下,β-AgVO3纳米线催化剂在2-丙醇的降解中具有比商业N-TiO2更高的光催化活性。这主要归因于β-AgVO3纳米线的窄带隙,良好的结晶度和较大的表面体积比。

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