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Large Piezoelectric Response in a Metal-Free Three-Dimensional Perovskite Ferroelectric
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2023-02-16 , DOI: 10.1021/jacs.3c00646 Hua Zhang 1 , Zhe-Kun Xu 1 , Zhong-Xia Wang 1, 2 , Hang Yu 1 , Hui-Peng Lv 1 , Peng-Fei Li 1 , Wei-Qiang Liao 1 , Ren-Gen Xiong 1
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2023-02-16 , DOI: 10.1021/jacs.3c00646 Hua Zhang 1 , Zhe-Kun Xu 1 , Zhong-Xia Wang 1, 2 , Hang Yu 1 , Hui-Peng Lv 1 , Peng-Fei Li 1 , Wei-Qiang Liao 1 , Ren-Gen Xiong 1
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Metal-free perovskites with light weight and eco-friendly processability have received great interest in recent years due to their superior physical features in ferroelectrics, X-ray detection, and optoelectronics. The famous metal-free perovskite ferroelectric MDABCO-NH4-I3 (MDABCO = N-methyl-N′-diazabicyclo[2.2.2]octonium) has been demonstrated to exhibit excellent ferroelectricity comparable to that of inorganic ceramic ferroelectric BaTiO3, such as large spontaneous polarization and high Curie temperature (Ye et al. Science2018, 361, 151). However, piezoelectricity as a vitally important index is far from enough in the metal-free perovskite family. Here, we report the discovery of large piezoelectric response in a new metal-free three-dimensional perovskite ferroelectric NDABCO-NH4-Br3 (NDABCO = N-amino-N′-diazabicyclo[2.2.2]octonium) by replacing the methyl group of MDABCO with the amino group. Besides the evident ferroelectricity, strikingly, NDABCO-NH4-Br3 shows a large d33 of 63 pC/N more than 4 times that of MDABCO-NH4-I3 (14 pC/N). The d33 value is also strongly supported by the computational study. To the best of our knowledge, such a large d33 value ranks the highest among the documented organic ferroelectric crystals to date and represents a major breakthrough in metal-free perovskite ferroelectrics. Combined with decent mechanical properties, NDABCO-NH4-Br3 is expected to be a competitive candidate for medical, biomechanical, wearable, and body-compatible ferroelectric devices.
中文翻译：
无金属三维钙钛矿铁电体中的大压电响应
近年来，由于其在铁电体、X 射线检测和光电子学方面的卓越物理特性，具有重量轻和环保加工性的无金属钙钛矿受到了极大的关注。著名的无金属钙钛矿铁电体 MDABCO-NH 4 -I 3 (MDABCO = N -methyl- N ′-diazabicyclo[2.2.2]octonium) 已被证明具有与无机陶瓷铁电体 BaTiO 3相当的优异铁电性，例如由于自发极化大和居里温度高（Ye et al. Science 2018 , 361, 151). 然而，压电性作为一个至关重要的指标在无金属钙钛矿家族中还远远不够。在这里，我们报告了在一种新的无金属三维钙钛矿铁电体 NDABCO-NH 4 -Br 3 (NDABCO = N -amino- N '-diazabicyclo[2.2.2]octonium) 中发现了大压电响应，方法是取代甲基MDABCO 基团与氨基。除了明显的铁电性之外，NDABCO-NH 4 -Br 3引人注目地显示出 63 pC/N 的大d 33是 MDABCO-NH 4 -I 3 (14 pC/N)的 4 倍以上。d 33 _价值也得到了计算研究的强烈支持。据我们所知，如此大的d 33值在迄今为止记录的有机铁电晶体中排名最高，代表了无金属钙钛矿铁电体的重大突破。结合良好的机械性能，NDABCO-NH 4 -Br 3有望成为医疗、生物力学、可穿戴和身体兼容铁电设备的竞争候选材料。
更新日期：2023-02-16
中文翻译：
无金属三维钙钛矿铁电体中的大压电响应
近年来，由于其在铁电体、X 射线检测和光电子学方面的卓越物理特性，具有重量轻和环保加工性的无金属钙钛矿受到了极大的关注。著名的无金属钙钛矿铁电体 MDABCO-NH 4 -I 3 (MDABCO = N -methyl- N ′-diazabicyclo[2.2.2]octonium) 已被证明具有与无机陶瓷铁电体 BaTiO 3相当的优异铁电性，例如由于自发极化大和居里温度高（Ye et al. Science 2018 , 361, 151). 然而，压电性作为一个至关重要的指标在无金属钙钛矿家族中还远远不够。在这里，我们报告了在一种新的无金属三维钙钛矿铁电体 NDABCO-NH 4 -Br 3 (NDABCO = N -amino- N '-diazabicyclo[2.2.2]octonium) 中发现了大压电响应，方法是取代甲基MDABCO 基团与氨基。除了明显的铁电性之外，NDABCO-NH 4 -Br 3引人注目地显示出 63 pC/N 的大d 33是 MDABCO-NH 4 -I 3 (14 pC/N)的 4 倍以上。d 33 _价值也得到了计算研究的强烈支持。据我们所知，如此大的d 33值在迄今为止记录的有机铁电晶体中排名最高，代表了无金属钙钛矿铁电体的重大突破。结合良好的机械性能，NDABCO-NH 4 -Br 3有望成为医疗、生物力学、可穿戴和身体兼容铁电设备的竞争候选材料。
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