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Achieving Ultrahigh Piezoelectricity in Organic–Inorganic Vacancy-Ordered Halide Double Perovskites for Mechanical Energy Harvesting
ACS Energy Letters ( IF 19.3 ) Pub Date : 2020-11-23 , DOI: 10.1021/acsenergylett.0c02200 Guangguang Huang 1 , Asif Abdullah Khan 1 , Md Masud Rana 1 , Chao Xu 1 , Shuhong Xu 2 , Resul Saritas 3 , Steven Zhang 1 , Eihab Abdel-Rahmand 3 , Pascal Turban 4 , Soraya Ababou-Girard 4 , Chunlei Wang 2 , Dayan Ban 1, 5, 6
ACS Energy Letters ( IF 19.3 ) Pub Date : 2020-11-23 , DOI: 10.1021/acsenergylett.0c02200 Guangguang Huang 1 , Asif Abdullah Khan 1 , Md Masud Rana 1 , Chao Xu 1 , Shuhong Xu 2 , Resul Saritas 3 , Steven Zhang 1 , Eihab Abdel-Rahmand 3 , Pascal Turban 4 , Soraya Ababou-Girard 4 , Chunlei Wang 2 , Dayan Ban 1, 5, 6
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Piezoelectric charge coefficient (d33) and piezoelectric voltage coefficient (g33) are the two most critical parameters that define output performance of piezoelectric nanogenerators (PNGs). Herein, we propose a vacancy-ordered double perovskite of TMCM2SnCl6 (where TMCM is trimethylchloromethylammonium) with a large d33 of 137 pC/N and g33 of 980 × 10–3 V·m/N. The piezoelectric coefficients are considered from the halogen-bonding-mediated synergistic movements of atomic displacement in inorganic [SnCl6]2– octahedrons, as well as the molecular rotation of organic TMCM+, which is revealed by a combined density functional theory (DFT) and experimental study. The TMCM2SnCl6 possesses a high saturated polarization (Ps) of 8.7 μC/cm2, a high Curie temperature (Tc) of 365 K, and a low coercive field (Ec) of 0.6 kV/cm. The output voltage (Voc) and current (Isc) of the PNGs are 81 V and 2 μA at an applied mechanical excitation of (4.9 N, 40 Hz). We hope this work will provide guidance in energy harvesting by innovatively designing highly piezoelectric perovskites for the PNGs.
中文翻译：
在有机-无机空缺有序卤化物双钙钛矿中实现超高压电性，以进行机械能收集
压电电荷系数（d 33）和压电电压系数（g 33）是定义压电纳米发电机（PNG）输出性能的两个最关键的参数。本文中，我们提出了空缺有序的钙钛矿TMCM 2 SnCl 6（其中TMCM是三甲基氯甲基铵），其大d 33为137 pC / N，g 33为980×10 –3 V·m / N。压电系数是由无机键[SnCl 6 ] 2–中的卤素键介导的原子位移的协同运动考虑的。八面体以及有机TMCM +的分子旋转，这是由密度泛函理论（DFT）和实验研究相结合揭示的。TMCM 2 SnCl 6具有8.7μC/ cm 2的高饱和极化（P s），365 K的高居里温度（T c）和0.6 kV / cm的低矫顽场（E c）。输出电压（V oc）和电流（I sc）在（4.9 N，40 Hz）施加的机械激励下，PNG为81 V和2μA。我们希望这项工作将为PNG创新设计高压电钙钛矿，从而为能量收集提供指导。
更新日期：2021-01-08
中文翻译：
在有机-无机空缺有序卤化物双钙钛矿中实现超高压电性，以进行机械能收集
压电电荷系数（d 33）和压电电压系数（g 33）是定义压电纳米发电机（PNG）输出性能的两个最关键的参数。本文中，我们提出了空缺有序的钙钛矿TMCM 2 SnCl 6（其中TMCM是三甲基氯甲基铵），其大d 33为137 pC / N，g 33为980×10 –3 V·m / N。压电系数是由无机键[SnCl 6 ] 2–中的卤素键介导的原子位移的协同运动考虑的。八面体以及有机TMCM +的分子旋转，这是由密度泛函理论（DFT）和实验研究相结合揭示的。TMCM 2 SnCl 6具有8.7μC/ cm 2的高饱和极化（P s），365 K的高居里温度（T c）和0.6 kV / cm的低矫顽场（E c）。输出电压（V oc）和电流（I sc）在（4.9 N，40 Hz）施加的机械激励下，PNG为81 V和2μA。我们希望这项工作将为PNG创新设计高压电钙钛矿，从而为能量收集提供指导。
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