Design and Preparation of Organic-Metal Halide Hybrids Exhibiting Charge Transfer

具有电荷转移功能的有机金属卤化物杂化物的设计和制备

• 批准号: 1905826
• 负责人: Brent Melot
• 金额: $ 56.75万
• 依托单位: University of Southern California
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-08-15 至 2024-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1905826&HistoricalAwards=false
• 关键词: Design; Preparation; Organic; Metal; Halide

PART 1: NON-TECHNICAL SUMMARY In the last ten years, solar cells based on hybrid materials that contain organic and inorganic components have exhibited rapidly improving performance that has now reached levels competitive with commercial silicon panels. Through this project, which is supported by the Solid State and Materials Chemistry program at NSF, the research team at the University of Southern California develops a deeper understanding of why these materials perform so exceptionally well and investigates strategies to push the performance of these hybrid materials even higher in the future. The work is highly interdisciplinary, combining efforts in organic synthesis, computational chemistry, and physical property measurements to examine how light interacts with these complex materials. The project also engages undergraduates from the nearby Cerritos Community College (which is 54% Latino, 8% African American) and Native American High School students in the research. PART 2: TECHNICAL SUMMARYThis project, which is supported by the Solid State and Materials Chemistry program at NSF, deepens our fundamental understanding of how organic molecules in their excited state interact within periodic inorganic structures. In previous studies the organic component has been predominantly structural in nature, not actively participating in the valence or conduction bands. In this project the research team at the University of Southern California focuses on materials where the organic component is an active optical or electronic element, by making it a major contributor to the valance and/or conduction bands of the hybrid solid. The principle investigators develop new material design principles to promote enhanced charge transport of photoexcited carriers through the solid state. In the process, new understanding is achieved about how to align the highest occupied (HOMO) and lowest unoccupied molecular orbitals (LUMO) of organic dyes with the conduction or valence bands of the extended framework. The materials that are developed during this study act as model systems to investigate how localized excitons on the organic molecules can be transferred into the far more delocalized bands of the metal halide region of the crystal. The systematic investigation involves a combination of materials design, synthesis, Density Functional Theory calculations, and physical property measurement to answer fundamental questions about how the organic and inorganic components interact within the crystal structure. Additionally, the project engages undergraduates from the nearby Cerritos Community College (which is 54% Latino, 8% African American) and Native American High School students in the research.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.

第一部分： 在过去的十年中，基于包含有机和无机组分的混合材料的太阳能电池已经表现出快速改进的性能，现在已经达到与商业硅面板竞争的水平。通过这个由NSF固态和材料化学项目支持的项目，南加州大学的研究团队更深入地了解了为什么这些材料表现如此出色，并研究了将这些混合材料的性能推向更高的策略。这项工作是高度跨学科的，结合了有机合成、计算化学和物理性质测量方面的努力，以研究光如何与这些复杂材料相互作用。该项目还邀请附近的喜瑞都社区学院（54%为拉丁裔，8%为非裔美国人）的本科生和美洲原住民高中学生参与研究。 第二部分： 该项目由NSF的固态和材料化学计划支持，加深了我们对有机分子在其激发态下如何在周期性无机结构中相互作用的基本理解。在以前的研究中，有机组分在性质上主要是结构性的，不积极参与价带或导带。在这个项目中，南加州大学的研究团队专注于有机成分是有源光学或电子元件的材料，使其成为混合固体的价带和/或导带的主要贡献者。原则研究人员开发新的材料设计原则，以促进增强光激发载流子通过固态的电荷传输。在此过程中，人们对有机染料的最高占据轨道（HOMO）和最低未占据轨道（LUMO）如何与扩展骨架的导带或价带对齐有了新的认识。在这项研究中开发的材料作为模型系统，以研究有机分子上的局域激子如何转移到晶体金属卤化物区域的离域带中。系统的研究涉及材料设计，合成，密度泛函理论计算和物理性质测量的组合，以回答有关有机和无机成分如何在晶体结构内相互作用的基本问题。此外，该项目还吸引了附近喜瑞托斯社区学院的本科生（其中54%是拉丁裔，8%是非裔美国人）和美洲原住民高中的学生参与研究。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力审查标准进行评估，被认为值得支持。

项目成果

Temperature dependence of radiative and non-radiative decay in the luminescence of one-dimensional pyridinium lead halide hybrids

一维吡啶鎓卤化铅杂化物发光中辐射和非辐射衰变的温度依赖性

• DOI: 10.1039/d3cp02186f
• 发表时间: 2023
• 期刊: Physical Chemistry Chemical Physics
• 影响因子: 3.3
• 作者: Alfaraidi, Abdulrahman M.;Schaab, Jonas;McClure, Eric T.;Kellogg, Michael;Hodgkins, Taylor L.;Idris, Muazzam;Bradforth, Stephen E.;Melot, Brent C.;Thompson, Mark E.;Djurovich, Peter I.
• 通讯作者: Djurovich, Peter I.