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CAS: Development of Structure-Property Relationships in Photoluminescent Bismuth Organic Materials

CAS：光致发光有机铋材料结构-性能关系的发展

基本信息

批准号：
2203658
负责人：
Karah Knope
金额：
$ 46.77万
依托单位：
Georgetown University
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2022
资助国家：
美国
起止时间：
2022-09-01 至 2025-08-31
项目状态：
未结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=2203658&HistoricalAwards=false
关键词：
CAS Development Structure Property Relationships

项目摘要

NON-TECHNICAL SUMMARYLuminescent materials – compounds that emit light upon exposure to electromagnetic radiation – are used in every-day technologies ranging from light bulbs to counterfeiting inks. Yet there are ongoing concerns regarding the sustainability, price, and toxicity of the components commonly used in existing technologies. In this project supported by the Solid State and Materials Chemistry Program in the Division of Materials Research and Chemical Structure, Dynamics, and Mechanisms B Program in the Division of Chemistry, design principles for luminescent materials based on bismuth – a cheap, globally sourced, environmentally benign element – are developed by pairing experimental and computational approaches. The experimental studies focus on the preparation and atomic-level characterization of the features that give rise to luminescence in bismuth-based compounds. These efforts are coupled with complementary computational studies that further elucidate the factors that underpin the observed luminescence. The insight gained from these studies fundamentally advances our ability to control the properties of bismuth based compounds and provides a new platform for luminescent materials design. Additionally, the research is integrated with activities that support formal K-12 science curricula and fosters STEM engagement through collaboration with local partners including the Smithsonian institution.TECHNICAL SUMMARYTunable luminescent materials are an important class of compounds due to their application in areas ranging from energy-efficient lighting to sensing technologies. Yet there are obvious advantages to the development of materials built from globally available, cheap, nontoxic elements. This project, supported by the Solid State and Materials Chemistry Program in the Division of Materials Research and Chemical Structure, Dynamics, and Mechanisms B Program in the Division of Chemistry, will broadly establish structure-property relationships in bismuth-based compounds built from molecular complexes and clusters. Correlation of structural features, both molecular structure and noncovalent interactions, with photoluminescent behavior using X-ray diffraction, temperature dependent spectroscopic measurements, and computational studies will provide insight into how metal ions with closed shell ns2 electron configurations can be used to tune material properties through structural modifications, electronic effects, and extended noncovalent interactions. Such work will advance our understanding of main group synthetic, coordination, and materials chemistry and afford new knowledge that is essential to the realization of the more applied aspects of main group coordination and materials chemistry. These efforts are integrated with the group’s commitment to preparing students for diverse careers in the workforce and broadening participation in STEM disciplines via the development of a variety of educational activities that support K-12 students and teachers. Local partnerships leverage the group’s proximity to institutions such as the Smithsonian to reach a large audience and broadly catalyze STEM engagement.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.

非技术概述发光材料-在暴露于电磁辐射时发光的化合物-用于从灯泡到伪造油墨的日常技术中。然而，人们对现有技术中常用成分的可持续性、价格和毒性一直存在担忧。在该项目中，由材料研究部的固态和材料化学计划以及化学部的化学结构、动力学和机制B计划支持，通过配对实验和计算方法开发了基于铋的发光材料的设计原理-铋是一种廉价的、全球采购的、环境友好的元素。实验研究的重点是铋基化合物的制备和原子级表征的功能，引起发光。这些努力与补充计算研究相结合，进一步阐明了所观察到的发光的基础因素。从这些研究中获得的见解从根本上提高了我们控制铋基化合物性质的能力，并为发光材料设计提供了新的平台。此外，该研究还与支持正规K-12科学课程的活动相结合，并通过与当地合作伙伴（包括史密森学会）的合作促进STEM参与。技术概述可调发光材料是一类重要的化合物，因为它们应用于从节能照明到传感技术的各个领域。然而，开发由全球可用的廉价无毒元素制成的材料有明显的优势。该项目由材料研究部的固态和材料化学计划以及化学部的化学结构、动力学和机理B计划支持，将广泛建立由分子复合物和簇组成的铋基化合物的结构-性质关系。结构特征的相关性，分子结构和非共价相互作用，与光致发光行为，使用X射线衍射，温度依赖的光谱测量，和计算研究将提供洞察如何金属离子与封闭壳层ns 2电子配置可用于通过结构修饰，电子效应，和扩展的非共价相互作用来调整材料性能。这些工作将促进我们对主族合成、配位和材料化学的理解，并提供对于实现主族配位和材料化学的更多应用方面至关重要的新知识。这些努力与该集团的承诺相结合，该集团致力于为学生在劳动力中的多样化职业做好准备，并通过开发各种支持K-12学生和教师的教育活动来扩大STEM学科的参与。该奖项反映了NSF的法定使命，并通过使用基金会的知识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。