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首页> 外文期刊>RSC Advances >Ag/Cu co-doped ZnS-In2S3 solid solutions: facile synthesis, theoretical calculations and enhanced photocatalytic activity
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Ag/Cu co-doped ZnS-In2S3 solid solutions: facile synthesis, theoretical calculations and enhanced photocatalytic activity

机译：Ag / Cu共掺杂的ZnS-In2S3固溶体：简便的合成，理论计算和增强的光催化活性

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摘要

ZnS-In2S3 nanospheres were prepared by a simple hydrothermal method without using any organic solvents or templates. In order to improve the photocatalytic performance, Ag and Cu were chosen as doping elements for both single-doping and co-doping. The band structure, electronic structure and electron density were carefully investigated based on density functional theory (DFT). The roles of In and Ag/Cu in the solid solutions are found to be band adjustment, electron density control and electron mobility optimization due to the d orbitals of Ag and Cu. A series of photocatalysts were further characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-visible diffuse reflectance spectra (UV-vis) and Brunauer-Emmett-Teller (BET) surface area measurement. It is found that the formation of a solid solution greatly broadened the light response range and made visible light response possible. When the amounts of Ag and Cu are 0.2 mL and 0.3 mL, the Ag/Cu co-doped ZnS-In2S3 solid solution showed the optimized value of 2.15 mmol h(-1) g(-1) under visible-light irradiation without using any noble metal as a co-catalyst. After four cycles of photocatalytic tests, the activity barely decreased.
机译：ZnS-In2S3纳米球是通过简单的水热法制备的，无需使用任何有机溶剂或模板。为了提高光催化性能，选择Ag和Cu作为单掺杂和共掺杂的掺杂元素。基于密度泛函理论（DFT）仔细研究了能带结构，电子结构和电子密度。由于Ag和Cu的d轨道，发现In和Ag / Cu在固溶体中的作用是能带调整，电子密度控制和电子迁移率优化。通过X射线衍射（XRD），扫描电子显微镜（SEM），紫外可见漫反射光谱（UV-vis）和Brunauer-Emmett-Teller（BET）表面积测量进一步表征了一系列光催化剂。发现固溶体的形成大大拓宽了光响应范围，并使可见光响应成为可能。当Ag和Cu的量分别为0.2 mL和0.3 mL时，在不使用可见光的情况下，Ag / Cu共掺杂的ZnS-In2S3固溶体的最佳值为2.15 mmol h（-1）g（-1）。任何贵金属作为助催化剂。经过四个周期的光催化测试，活性几乎没有下降。

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