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首页> 外文期刊>Journal of Materials Science >Study on mechanism of enhanced photocatalytic performance of N-doped TiO_2/Ti photoelectrodes by theoretical and experimental methods
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Study on mechanism of enhanced photocatalytic performance of N-doped TiO_2/Ti photoelectrodes by theoretical and experimental methods

机译：通过理论和实验方法研究N掺杂TiO_2 / Ti光电极增强光催化性能的机理

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摘要

Several kinds of N-doped/undoped TiO_2 photoelectrodes with different nanostructures have been successfully prepared by anodization method and plasma-based ion implantation (PBII) technique. The morphology and structure of as-prepared photoelectrodes were studied by scanning electron microscopy, X-ray diffraction, and ultra violet/visible light diffuse reflectance spectra. Electronic structure and optical properties were calculated by means of first-principle. Photocatalytic (PC) and photoelectrocatalytic (PEC) performance were measured by the decomposition of terephthalic acid (TA) and Rhodamine B under xenon light illumination. Theoretical calculation results demonstrated that crystal phases have great influence on the electric and optical properties, and N-doped TiO_2 photoelectrodes have isolated N_(2P) impurity states nearby the top of the valence band. The optical properties and UV/Vis analysis confirmed that the absorption edge of N-TiO_2 emerged red-shift and high photosensitivity. The discrepancy of PC and PEC performance of as-prepared TiO_2 photoelectrodes were ascribed to band gap narrowing, N_(2p) impurity states, self-semiconductor coupling effect, and long-range ordered orientation of photogenerated carries originated from applied electric field.
机译：通过阳极氧化法和基于等离子体的离子注入（PBII）技术成功地制备了几种具有不同纳米结构的N掺杂/未掺杂的TiO_2光电极。通过扫描电子显微镜，X射线衍射和紫外/可见光漫反射光谱研究了所制备的光电极的形态和结构。通过第一性原理计算电子结构和光学性质。通过在氙灯照射下对苯二甲酸（TA）和若丹明B的分解来测量光催化（PC）和光电催化（PEC）性能。理论计算结果表明，晶相对电学和光学性能有很大影响，N掺杂的TiO_2光电极在价带顶部附近具有孤立的N_（2P）杂质态。光学性质和UV / Vis分析证实，N-TiO_2的吸收边缘呈现红移和高光敏性。制备的TiO_2光电极的PC和PEC性能差异归因于带隙变窄，N_（2p）杂质态，自半导体耦合效应和光生载流子的长程有序取向。

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