Lead free organic-inorganic halide perovskite ferroelectrics with large piezoelectric responses

具有大压电响应的无铅有机-无机卤化物钙钛矿铁电体

• 批准号: 1807818
• 负责人: Yanfa Yan
• 金额: $ 45万
• 依托单位: University of Toledo
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-08-01 至 2023-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1807818&HistoricalAwards=false
• 关键词: Lead; free; organic; inorganic; halide

Non-technical Description: Ferroelectricity describes the spontaneous electric response of certain materials to external electric field. Flexible ferroelectric thin films are attractive candidates for use in low-cost wearable sensors, energy conversion systems, and personal electronics. However, the current materials for this type of applications are ceramic, which are not sufficiently flexible and contain toxic lead element. Recently, a newly discovered, lead-free flexible organic-inorganic perovskite ferroelectric material show properties rivaling conventional rigid ceramic thin films. This project aims to explore the origin for the ferroelectric properties observed in this new organic-inorganic material and to design new materials of this type with improved properties. The project seeks to develop techniques for producing practical wearable and implantable ferroelectric devices using this newly-developed ferroelectric material. The integrative nature of theoretical investigation and experimental synthesis trains graduate and undergraduate students in cross-disciplinary skills that are essential for developing innovative solutions in the burgeoning field of wearable and implantable devices. Research results are expected to be available to the public via Ohio's Wright Center for Photovoltaics Innovation and Commercialization at The University of Toledo.Technical Description: The project includes both theoretical and experimental study of the mechanisms determining the large piezoelectric coefficient observed in organic-inorganic trimethylchloromethyl ammonium trichloromanganese (TMCM-TCM) perovskite, as well as development of synthesis methods for depositing high quality TMCM-TCM perovskite thin films. The theoretical study focuses on understanding how the TMCM molecules, the inorganic framework and the coupling between these two affect the ferroelectricity and piezoelectric coefficient of TMCM-TCM using density functional theory calculations. The theoretical study also includes searching for other molecules and inorganic octahedral frameworks that can form new organic-inorganic perovskite materials with enhanced ferroelectricity and piezoelectric coefficients. Additionally, the theoretical study provides understanding of the influence of point defects and lattice defects on the ferroelectric and piezoelectric properties. The experimental study focuses on developing synthesis processes including spin-coating, blade-coating and vacuum-thermal evaporation to deposit high quality organic-inorganic perovskite ferroelectric thin films. Characterization efforts, employing X-ray diffraction, scanning electron microcopy, UV-Vis spectroscopy, photoluminescence spectroscopy, and differential scanning calorimetry provide key assessments on the quality of the synthesized TMCM-TCM thin films. The experimental part also includes the investigation of the influence of various substrates on grain size, grain orientation, surface roughness, defect density, and uniformity of the synthesized TMCM-TCM thin films. If successful, the results provide pathways to realize efficient wearable and implantable ferroelectric and piezoelectric devices.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

非技术描述：铁电性描述了某些材料对外部电场的自发电响应。柔性铁电薄膜是用于低成本可穿戴传感器、能量转换系统和个人电子产品的有吸引力的候选者。然而，目前此类应用的材料是陶瓷，其柔韧性不够，并且含有有毒的铅元素。最近，一种新发现的无铅柔性有机-无机钙钛矿铁电材料表现出可与传统刚性陶瓷薄膜相媲美的性能。该项目旨在探索这种新型有机-无机材料中观察到的铁电特性的起源，并设计具有改进特性的此类新材料。该项目旨在开发使用这种新开发的铁电材料生产实用的可穿戴和可植入铁电设备的技术。理论研究和实验综合的综合性质训练研究生和本科生的跨学科技能，这对于在新兴的可穿戴和植入设备领域开发创新解决方案至关重要。研究结果预计将通过俄亥俄州托莱多大学赖特光伏创新和商业化中心向公众公布。技术描述：该项目包括对确定有机-无机三甲基氯甲基三氯锰铵（TMCM-TCM）钙钛矿以及钙钛矿中观察到的大压电系数的机制进行理论和实验研究。 开发沉积高质量TMCM-TCM钙钛矿薄膜的合成方法。理论研究重点是利用密度泛函理论计算了解TMCM分子、无机骨架以及两者之间的耦合如何影响TMCM-TCM的铁电性和压电系数。理论研究还包括寻找其他分子和无机八面体框架，以形成具有增强铁电性和压电系数的新型有机-无机钙钛矿材料。此外，理论研究还提供了对点缺陷和晶格缺陷对铁电和压电性能影响的理解。该实验研究的重点是开发包括旋涂、刮刀涂布和真空热蒸发在内的合成工艺，以沉积高质量的有机-无机钙钛矿铁电薄膜。采用 X 射线衍射、扫描电子显微镜、紫外-可见光谱、光致发光光谱和差示扫描量热法的表征工作为合成的 TMCM-TCM 薄膜的质量提供了关键评估。实验部分还包括研究各种基底对合成的TMCM-TCM薄膜的晶粒尺寸、晶粒取向、表面粗糙度、缺陷密度和均匀性的影响。如果成功，研究结果将为实现高效的可穿戴和植入式铁电和压电设备提供途径。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

Ultrafast Control of Excitonic Rashba Fine Structure by Phonon Coherence in the Metal Halide Perovskite CH3NH3PbI3

• DOI: 10.1103/physrevlett.124.157401
• 发表时间: 2020-04-16
• 期刊: PHYSICAL REVIEW LETTERS
• 影响因子: 8.6
• 作者: Liu, Z.;Vaswani, C.;Wang, J.
• 通讯作者: Wang, J.

Influence of Charge Transport Layers on Capacitance Measured in Halide Perovskite Solar Cells

• DOI: 10.1016/j.joule.2020.01.012
• 发表时间: 2020-03-18
• 期刊: JOULE
• 影响因子: 39.8
• 作者: Awni, Rasha A.;Song, Zhaoning;Yan, Yanfa
• 通讯作者: Yan, Yanfa

Lead chloride perovskites for p -type transparent conductors: A critical theoretical reevaluation

• DOI: 10.1103/physrevmaterials.4.115201
• 发表时间: 2020-11
• 期刊: Physical Review Materials
• 影响因子: 3.4
• 作者: Sanlue Hu;Bing Xia;Yanfa Yan;Zewen Xiao

Efficient and stable emission of warm-white light from lead-free halide double perovskites

• DOI: 10.1038/s41586-018-0691-0
• 发表时间: 2018-11-22
• 期刊: NATURE
• 影响因子: 64.8
• 作者: Luo, Jiajun;Wang, Xiaoming;Tang, Jiang
• 通讯作者: Tang, Jiang

Wide-bandgap, low-bandgap, and tandem perovskite solar cells

• DOI: 10.1088/1361-6641/ab27f7
• 发表时间: 2019-07
• 期刊: Semiconductor Science and Technology
• 影响因子: 1.9
• 作者: Zhaoning Song;Cong Chen;Chongwen Li;R. Awni;Dewei Zhao;Yanfa Yan