Alsaad Ahmad M, Al-Bataineh Qais M, Qattan Issam A, Aljarrah Ihsan A, Bani-Salameh Areen A, Ahmad Ahmad A, Albiss Borhan A, Telfah Ahmad, Sabirianov Renat F
Department of Physics, Jordan University of Science & Technology, P.O. Box 3030, Irbid 22110, Jordan.
Leibniz Institut für Analytische Wissenschaften-ISAS-e.V., Bunsen-Kirchhoff-Straße 11, 44139 Dortmund, Germany.
Nanomaterials (Basel). 2023 Mar 28;13(7):1200. doi: 10.3390/nano13071200.
We fabricated ferroelectric films of the organic molecular diisopropylammonium chloride (DIPAC) using the dip-coating technique and characterized their properties using various methods. Fourier-transform infrared, scanning electron microscopy, and X-ray diffraction analysis revealed the structural features of the films. We also performed ab-initio calculations to investigate the electronic and polar properties of the DIPAC crystal, which were found to be consistent with the experimental results. In particular, the optical band gap of the DIPAC crystal was estimated to be around 4.5 eV from the band structure total density-of-states obtained by HSE06 hybrid functional methods, in good agreement with the value derived from the Tauc plot analysis (4.05 ± 0.16 eV). The films displayed an island-like morphology on the surface and showed increasing electrical conductivity with temperature, with a calculated thermal activation energy of 2.24 ± 0.03 eV. Our findings suggest that DIPAC films could be a promising alternative to lead-based perovskites for various applications such as piezoelectric devices, optoelectronics, sensors, data storage, and microelectromechanical systems.
我们采用浸涂技术制备了有机分子二异丙基氯化铵（DIPAC）的铁电薄膜，并使用各种方法对其性能进行了表征。傅里叶变换红外光谱、扫描电子显微镜和X射线衍射分析揭示了薄膜的结构特征。我们还进行了从头算计算，以研究DIPAC晶体的电子和极性性质，发现这些性质与实验结果一致。特别是，通过HSE06杂化泛函方法获得的能带结构总态密度估计DIPAC晶体的光学带隙约为4.5 eV，这与从Tauc图分析得出的值（4.05±0.16 eV）非常吻合。这些薄膜在表面呈现出岛状形态，并且电导率随温度升高而增加，计算得出的热激活能为2.24±0.03 eV。我们的研究结果表明，对于诸如压电器件、光电子学、传感器、数据存储和微机电系统等各种应用，DIPAC薄膜可能是一种有前途的替代铅基钙钛矿的材料。
