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Investigation of Physical and electrochemical properties of Ni doped CeO2 Thin films: DFT calculation
Current Applied Physics ( IF 2.4 ) Pub Date : 2021-09-08 , DOI: 10.1016/j.cap.2021.08.015
J. Zimou 1 , K. Nouneh 1 , A. Talbi 1 , L. El Gana 1 , R. Hsissou 2 , A. El Habib 3 , H. Ahmoum 4 , S. Briche 5 , Z. El Jouad 6 , M. Beraich 1 , M. Addou 1, 3
Affiliation  

Undoped and Ni-doped thin films of cerium dioxide have been deposited by spray pyrolysis technique on the glass substrate at the optimized temperature (450 ± 5) °C. Thin films Ce1-xNixO2 doped by different concentrations of Ni was characterized by X-ray diffraction. Raman analysis showed a peak at 461 ± 1 cm−1 position for the undoped film, which corresponds to the active mode (F2g mode) of the cubic fluorite structure. SEM images showed that the particles have a uniform spherical shape. EDS data have confirmed all elements (Ce, Ni and O) existence. Optical properties of samples show a decrease in band gap energy with increasing the nickel rate. Cyclic voltammetry indicates that the storage capacity of samples increases as the Ni rate increases. The EIS of CeO2/ITO electrodes displays a small semicircular at high frequency. The theoretical results obtained using WIEN2k match well with the experimental ones.



中文翻译:

Ni掺杂CeO2薄膜的物理和电化学特性研究:DFT计算

在优化温度 (450 ± 5) °C 下,通过喷雾热解技术在玻璃基板上沉积了未掺杂和 Ni 掺杂的二氧化铈薄膜。通过X射线衍射表征了由不同浓度的Ni掺杂的Ce 1-x Ni x O 2薄膜。拉曼分析显示未掺杂薄膜在 461 ± 1 cm -1位置有一个峰值,这对应于有源模式 (F 2gmode) 的立方萤石结构。SEM图像显示颗粒具有均匀的球形。EDS 数据已确认所有元素(Ce、Ni 和 O)都存在。样品的光学特性表明,随着镍速率的增加,带隙能量降低。循环伏安法表明样品的存储容量随着 Ni 速率的增加而增加。CeO 2 /ITO 电极的EIS在高频下显示出一个小的半圆形。使用 WIEN2k 获得的理论结果与实验结果吻合良好。

更新日期:2021-09-10
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