Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory,Journal of the American Chemical Society

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Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2020-01-08 , DOI: 10.1021/jacs.9b11665
Zhen-Hong Wei ₁ , Zhen-Tao Jiang ₁ , Xiu-Xiu Zhang ₁ , Ming-Li Li ₁ , Yuan-Yuan Tang ₁ , Xiao-Gang Chen ₂ , Hu Cai ₁ , Ren-Gen Xiong _{1,

2}

Affiliation

Molecular ferroelectrics are attracting tremendous interest because of their easy and environmentally friendly processing, light weight, low acoustical impedance and mechanical flexibility, which are viable alternatives or supplements to conventional ceramic ferroelectrics. However, reports of ceramic-like molecular ferroelectrics that can be applied in the polycrystalline form have been scarce. Here, according to the "quasi-spherical theory", we successfully synthesized a ceramic-like molecular ferroelectric with an m3 ̅mFmm2 type phase transition at 357 K, 1, 5-diazabicyclo[3.2.1]octonium tetrafluoroborate ([3.2.1-dabco]BF4), which can show excellent ferroelectric performance in the polycrystalline thin-film form at room temperature. Based on the reported molecular ferroelectric [2.2.2-dabco]BF4 (2.2.2-dabco = 1,4-diazabicyclo[2.2.2]octonium) with an Aizu notation of 4/mmmFmm2 and two polar axes, we changed the [2.2.2-dabco]+ cation to the [3.2.1-dabco]+ cation for reducing the molecular symmetry and keeping the quasi-spherical shape simultaneously, making the polar axes up to six. Moreover, the spontaneous polarization Ps gets successfully increased from 4.9 μC·cm-2 in [2.2.2-dabco]BF4 to 5.5 μC·cm-2 in [3.2.1-dabco]BF4. This precise molecular design strategy offers an efficient pathway to design the ceramic-like molecular ferroelectrics.

中文翻译：

用拟球理论合理设计类陶瓷分子铁电体

分子铁电体因其易于加工且环境友好、重量轻、声阻抗低和机械柔韧性好而备受关注，是传统陶瓷铁电体的可行替代品或补充品。然而，关于可以以多晶形式应用的类陶瓷分子铁电体的报道很少。在这里，根据“准球形理论”，我们成功合成了类陶瓷分子铁电体，在 357 K, 1, 5-二氮杂双环 [3.2.1] octonium 四氟硼酸 ([3.2.1- dabco]BF4)，它可以在室温下以多晶薄膜形式显示出优异的铁电性能。基于报道的分子铁电体 [2.2.2-dabco]BF4 (2.2.2-dabco = 1,4-二氮杂双环 [2.2. 2]octonium) 的会津符号为 4/mmmFmm2 和两个极轴，我们将 [2.2.2-dabco]+ 阳离子更改为 [3.2.1-dabco]+ 阳离子以降低分子对称性并保持准球面形状，使极轴多达六个。此外，自发极化 Ps 成功地从 [2.2.2-dabco]BF4 中的 4.9 μC·cm-2 增加到 [3.2.1-dabco]BF4 中的 5.5 μC·cm-2。这种精确的分子设计策略为设计类陶瓷分子铁电体提供了有效途径。[2.2.2-dabco]BF4 中的 9 μC·cm-2 到 [3.2.1-dabco]BF4 中的 5.5 μC·cm-2。这种精确的分子设计策略为设计类陶瓷分子铁电体提供了有效途径。[2.2.2-dabco]BF4 中的 9 μC·cm-2 到 [3.2.1-dabco]BF4 中的 5.5 μC·cm-2。这种精确的分子设计策略为设计类陶瓷分子铁电体提供了有效途径。

更新日期：2020-01-08

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