CAREER: Guiding automated synthesis of hybrid perovskites towards stability via knowledge of nanoscale ionic mechanisms

职业：通过纳米级离子机制的知识指导杂化钙钛矿的自动化合成以实现稳定性

• 批准号: 2043205
• 负责人: Mahshid Ahmadi
• 金额: $ 56.07万
• 依托单位: University of Tennessee Knoxville
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-06-01 至 2026-05-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2043205&HistoricalAwards=false
• 关键词: CAREER; Guiding; automated; synthesis; hybrid

Metal halide perovskites are a new class of hybrid materials with inorganic and organic components with the potential to revolutionize optoelectronic technologies. They have shown particular promise for the next generation of inexpensive, efficient solar cells. The primary limiting factor to widespread use of perovskites is that they are not stable in devices. This project will develop an understanding of the fundamental and specific properties of perovskites with an overarching goal of improved stability. This project will elucidate and describe the electrochemistry of these materials to inform development of new processes for manufacture of stable perovskites. This work is made possible by an innovative automated synthesis approach that allows for experimentation on a diverse range of novel compositions that would be difficult to identify and study otherwise. The PI will strive to increase interest and participation of women in materials science and engineering research careers through an active, project-based outreach program. This program will include individualized career awareness mentoring for high school students and undergraduates.Organic–inorganic halide perovskites (OIHP) have many qualities that are ideal for optoelectronic applications and are used to improve function and reduce cost of solar cells, photodetectors, and light-emitting diodes. The substantive hurdles to widespread, commercial use of OIHPs are their instability and low long-term performance. Precise control of ionic chemistry and understanding of how interfacial and surface chemistry affects function are essential to overcome these limitations. This project will measure and describe the underlying mechanisms that affect OIHP intrinsic stability to create predictive models that will inform design of durable materials. The three challenges related to the stability of OIHPs examined in this project are: 1) establish rapid guided automated combinatorial synthesis workflow for material discovery and optimization, 2) determine the role of ion chemistry via electrochemical gating experiments, and 3) describe the kinetics and thermodynamics of the interfacial electrochemical processes on the three-phase junctions. The project will employ microscopy techniques and imaging of in-operando devices to build a comprehensive understanding of the internal electrochemical functionality of OIHP systems, which would enable a path toward predictive modelling and optimization of processing. The proposed automated synthesis approach using rapid characterization and slow device testing will allow for navigation of the compositional and processing space of these materials. The project-based outreach program will integrate the physics of electronic and ionic charge transports with machine learning concepts for new research experiences for undergraduate and graduate students. Grade-level appropriate versions of these activities will be offered to interested female high school students to increase interest in and improve preparation for materials science careers for women and other groups underrepresented in STEM.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.

金属卤化物钙钛矿是一种具有无机和有机成分的新型混合材料，具有彻底改变光电技术的潜力，它们在下一代廉价、高效的太阳能电池中显示出特别的前景，广泛使用钙钛矿的主要限制因素是：该项目将加深对钙钛矿的基本和特定性质的了解，其总体目标是提高稳定性。该项目将阐明和描述这些材料的电化学，以提供信息。开发稳定钙钛矿的新工艺是通过创新的自动化合成方法实现的，该方法允许对各种新颖的成分进行实验，否则很难识别和研究。通过积极的、基于项目的外展计划，女性参与材料科学和工程研究职业。该计划将包括针对高中生和本科生的个性化职业意识指导。有机-无机卤化物钙钛矿 (OIHP) 具有许多理想的品质。用于光电应用并用于改善太阳能电池、光电探测器和发光二极管的功能并降低成本。OIHP 广泛商业使用的实质性障碍是其不稳定性和离子化学和长期性能的低精确控制。了解界面和表面化学如何影响功能对于克服这些限制至关重要。该项目将测量和描述影响 OIHP 内在稳定性的潜在机制，以创建为耐用材料设计提供信息的预测模型。与本项目中检查的 OIHP 稳定性相关的内容包括：1) 建立用于材料发现和优化的快速引导自动组合合成工作流程，2) 通过电化学门控实验确定离子化学的作用，3) 描述 OIHP 的动力学和热力学该项目将采用显微镜技术和操作中装置的成像来全面了解 OIHP 系统的内部电化学功能。所提出的使用快速表征和慢速设备测试的自动化合成方法将允许导航这些材料的成分和加工空间，该基于项目的推广计划将整合电子和离子的物理学。为本科生和研究生提供具有机器学习概念的电荷传输，这些活动的年级适当版本将提供给感兴趣的女高中生，以提高女性和其他代表性不足群体对材料科学职业的兴趣并改善其准备。该奖项反映了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，NSF 的法定使命被认为值得支持。

项目成果

Unraveling the hysteretic behavior at double cations-double halides perovskite - electrode interfaces

揭示双阳离子-双卤化物钙钛矿-电极界面的滞后行为

• DOI: 10.1016/j.nanoen.2021.106428
• 发表时间: 2021-11-01
• 期刊: Nano Energy
• 影响因子: 17.6
• 作者: Dohyung Kim;Yongtao Liu;A. Ievlev;Kate Higgins;O. Ovchinnikova;J. Yun;J. Seidel;Sergei V. Kalinin;M. Ahmadi
• 通讯作者: M. Ahmadi

Empowering scientists with data-driven automated experimentation

为科学家提供数据驱动的自动化实验能力

• DOI: 10.1038/s44160-023-00337-z
• 发表时间: 2023-06
• 期刊: Nature Synthesis
• 作者: Yang, Jonghee;Ahmadi, Mahshid
• 通讯作者: Ahmadi, Mahshid

Photoinduced iodide repulsion and halides-demixing in layered perovskites

层状钙钛矿中的光致碘化物排斥和卤化物分层

• DOI: 10.1016/j.mtnano.2022.100197
• 发表时间: 2021-07-02
• 期刊: Materials Today Nano
• 影响因子: 10.3
• 作者: Yongtao Liu;Miaosheng Wang;A. Ievlev;Arya Ahmadi;J. Keum;M. Ahmadi;Bin Hu;O. Ovchinnikova
• 通讯作者: O. Ovchinnikova

The future of self-driving laboratories: from human in the loop interactive AI to gamification

自动驾驶实验室的未来：从人机交互人工智能到游戏化

• DOI: 10.1039/d4dd00040d
• 发表时间: 2024-01
• 期刊: Digital Discovery
• 作者: Hysmith, Holland;Foadian, Elham;Padhy, Shakti P.;Kalinin, Sergei V.;Moore, Rob G.;Ovchinnikova, Olga S.;Ahmadi, Mahshid
• 通讯作者: Ahmadi, Mahshid

Understanding the ligand-assisted reprecipitation of CsPbBr3 nanocrystals via high-throughput robotic synthesis approach

通过高通量机器人合成方法了解 CsPbBr3 纳米晶体的配体辅助再沉淀

• DOI: 10.1016/j.matt.2023.05.023
• 发表时间: 2023-05-01
• 期刊: Matter
• 影响因子: 18.9
• 作者: Sheryl L. Sanchez;Yipeng Tang;B. Hu;Jonghee Yang;M. Ahmadi
• 通讯作者: M. Ahmadi