Collaborative Research: DMREF: Organic Materials Architectured for Researching Vibronic Excitations with Light in the Infrared (MARVEL-IR)

合作研究：DMREF：用于研究红外光振动激发的有机材料 (MARVEL-IR)

• 批准号: 2409552
• 负责人: Guoxiang Hu
• 金额: $ 34.63万
• 依托单位: Georgia Tech Research Corporation
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2024
• 资助国家: 美国
• 起止时间: 2024-02-15 至 2027-09-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2409552&HistoricalAwards=false
• 关键词: Collaborative; Research; DMREF; Organic; Materials

Non-technical Description: The detection of infrared (IR) light underpins modern science, technology, and society in profound ways, permitting the observation of objects and information that are invisible to conventional detectors, imagers, and cameras. However, despite decades of development, current IR semiconductors possess numerous drawbacks that limit their widespread use and the development of critical emerging technologies. This project will investigate completely new light-matter interactions, theoretical and computational approaches, novel polymer semiconductors with tailored electronic structures, and devices to enable optical to electrical transduction of IR light, a fundamentally new capability for organic materials. These materials and devices will satisfy the functional and economic requirements for technologies that can address critical national needs with global societal impacts in climate change, manufacturing, energy, healthcare, information science, consumer applications, future aerospace and defense-wide applications, and many others. New theoretical, synthetic, characterization, and device advances will coalesce with Air Force Research Labs and industry partnerships to produce new materials and devices for technology transfer. Workforce development efforts will focus on multidisciplinary education through co-mentorship, industry and Department of Defense interactions, outreach to underrepresented high school and undergraduate students, and professional development actives for research and leadership training.Technical Description: This project will address grand challenges to revolutionize our understanding of charge photogeneration and emerging solid-state transport phenomena in order to enable optical to electrical transduction of IR light from organic materials. To achieve this, the research team will establish a closed loop between theory, computation, synthesis, spectroscopy, and device fabrication, engineering, and physics. Revolutionary ab initio and time-dependent quantum chemical calculations that incorporate non-adiabatic dynamics will for the first-time provide detailed insight into IR excitations in correlated organic materials with complex excitonic, vibrational, polaronic, and spin properties. Systematic theory-synthesis-spectroscopic approaches will be developed and applied to benchmark these new theoretical approaches and correlate molecular design with emerging functionality and coherent quasiparticle dynamics across multiple spatiotemporal timescales. This will be related to the fundamental electro-optical physics and device performance, enabling new functionality. These new, foundational design principles will be combined with experimentally validated physical structure-property models and data-driven machine learning methods to simulate new polymer structures, rapidly screen materials candidates, improve performance, and create new material libraries. This will create a comprehensive materials genome for conjugated polymers that operate throughout the IR. Thus, this project will enable fundamentally new scientific capabilities and revolutionary performance in organic electronic devices, acting as a core enabler of transformative technologies.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：红外（IR）光的检测以深刻的方式为现代科学，技术和社会提供了基础，允许观察传统探测器，成像仪和相机看不见的物体和信息。然而，尽管发展了数十年，但当前的IR半导体具有许多缺点，这些缺点限制了其广泛使用和关键新兴技术的发展。该项目将研究全新的光线相互作用，理论和计算方法，具有量身定制的电子结构的新型聚合物半导体，以及使光学转导的设备，从根本上讲是有机材料的新功能。这些材料和设备将满足技术的功能和经济需求，这些技术可以通过全球社会需求来满足全球社会需求，并在气候变化，制造，能源，医疗保健，信息科学，消费者应用，未来的航空航天和范围内的应用以及许多其他方面产生影响。新的理论，合成，表征和设备的进步将与空军研究实验室和行业合作伙伴共聚，以生产新的材料和设备以进行技术传输。劳动力发展努力将通过共同体，行业和国防部互动，向代表性不足的高中和本科生进行宣传以及研究和领导力培训的专业发展活跃的专业发展活动。技术描述：该项目将面临巨大的挑战，以应对我们对电荷光学的理解和跨越机构的固定质量，以跨越机构的固定性，以跨越机构，以跨越机构，以解决良好的挑战。为了实现这一目标，研究团队将在理论，计算，合成，光谱和设备制造，工程和物理学之间建立一个封闭的循环。首先，将革命性的AB从头开始和时间依赖性的量子化学计算将提供非绝热动力学，以提供对相关有机材料中IR激发的详细见解，具有复杂的激发，振动，偏光型和自旋特性。将开发系统的理论合成 - 光谱方法，并应用于这些新的理论方法，并将分子设计与新兴的功能和相干的准粒子动力学相关联，跨多个时空时间尺度。这将与基本的电光物理和设备性能有关，从而实现新功能。这些新的基础设计原理将与经过实验验证的物理结构 - 托管模型和数据驱动的机器学习方法相结合，以模拟新的聚合物结构，迅速筛选材料候选，提高性能并创建新的材料库。这将为整个IR运行的共轭聚合物创建全面的材料基因组。因此，该项目将在有机电子设备中从根本上实现新的科学能力和革命性的性能，成为变革技术的核心推动力。该奖项反映了NSF的法定任务，并被认为是通过基金会的知识分子优点和更广泛影响的审查标准通过评估来获得支持的。