基于二甲的二维铁电单层分子晶体,具有很大的平面自发极化
Liang Ma1,2, Yinglu Jia1, Stephen Ducharme3
1Department of Chemistry, Nebraska Center for Materials and Nanoscience , University of Nebraska-Lincoln , Lincoln , Nebraska 68588 , United States.
Journal of the American Chemical Society
|January 12, 2019
概括
研究人员为先进的应用开发了二维 (2D) 铁电分子晶体. 这些灵活的轻质材料具有很大的自发极化 (Ps) 并在室温下保持铁电.
科学领域:
- 材料科学
- 凝聚物质物理学
- 晶体学
背景情况:
- 由于其易于加工,轻量化和机械灵活性,铁电分子晶体是理想的应用.
- 大自发极化 (Ps) 是先进铁电应用的一个关键特性.
- 现有的铁电材料在加工和机械整合方面经常面临挑战.
研究的目的:
- 理论上研究二维 (2D) 铁电分子晶体的潜力.
- 探索在二维分子晶体中实现大平面自发偏振的可行性.
- 了解键和基质支对铁电性能的作用.
主要方法:
- 为了研究二维铁电分子晶体的电子和结构性质,使用了初始计算.
- 最初的分子动力学模拟用于评估铁电秩序的热稳定性.
- 这项研究重点是基于二甲 (DIPAB) 的单层和相关的化物晶体.
主要成果:
- 基于二甲基 (DIPAB) 的二维铁电单层分子晶体在理论上以大约1.5 × 10-6μC cm-1的平面自发极化 (Ps) 实现.
- 这项研究确定了键在稳定铁电性质方面的关键作用.
- 在2DDIPAB单层中的铁电顺序在被石墨烯基底支持时在室温下稳定.
结论:
- 具有显著的平面Ps的二维全有机铁电单层单分子晶体的理论设计是可行的.
- 化分子晶体为开发下一代柔性铁电材料提供了一个有前途的平台.
- 这些发现为使用二维铁电材料的新型电子和光电子设备铺平了道路.
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