Abstract We present a simple and systematic synthesis method of Zn doped TiO2 (Zn/TiO2) that is usually prepared with sophisticated preparation procedures. Zn/TiO2 have been synthesized following a facile and efficient incipient wet impregnation method. The resulting Zn/TiO2 has been characterized by X-ray diffraction, scanning electron microscopy, and energy-dispersive X-ray spectroscopy, which revealed the successful formation of the anatase phase and traces of the rutile phase. The existence of the rutile phase in smaller proportion was a clear sign of the Zn doping induced anatase-to-rutile phase transition. Sensible enhancement in the dielectric constant due to Zn addition has also been observed from experiment and approximate first-principle calculation. Thus, our results have significant impact on TiO2 based semiconductor technology.

中文翻译：

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二氧化钛负载锌的交流电导率、结构和介电特性：简便合成和 DFT 计算

摘要 我们提出了一种简单而系统的 Zn 掺杂 TiO2 (Zn/TiO2) 合成方法，该方法通常采用复杂的制备程序进行制备。Zn/TiO2 已经按照简便有效的初始湿浸渍法合成。所得的 Zn/TiO2 已通过 X 射线衍射、扫描电子显微镜和能量色散 X 射线光谱表征，揭示了锐钛矿相的成功形成和金红石相的痕迹。较小比例的金红石相的存在是 Zn 掺杂诱导锐钛矿到金红石相变的明显迹象。从实验和近似的第一性原理计算中也观察到由​​于 Zn 添加引起的介电常数的显着增强。因此，我们的结果对基于 TiO2 的半导体技术产生了重大影响。