SOLAR Collaborative: Designing and modeling advanced nanostructure based hybrid solar cells

技术概述：在这份由NSF sche - dmr - dms SOLAR Initiative支持的提案中，pi描述了他们对新型混合光伏材料的愿景，通过有机和无机材料的纳米级集成，利用共轭聚合物的高消光系数和固态半导体的高载流子迁移率。这项研究将解决许多与利用纳米级结构的有机-无机混合太阳能电池相关的基本问题。通过在化学、材料、设备和数学方面独特的世界级专业知识，该项目探索了规模和结构对界面质量、材料结构、能量传递和电子行为的影响。这项工作包括聚合物合成、聚合物和纳米结构材料的同步研究，以及几何参数优化、光谱研究和器件开发。这项工作的一个引人注目的方面是合成具有互补吸收和带偏移到III-As和III-P无机半导体的聚合物，并通过数学计算支持。同时，将深入研究优化的纳米结构设计，以实现高效的光耦合、吸收和载流子提取。本工作的主要重点将放在混合太阳能电池中有机半导体和无机纳米结构之间的表面态、表面钝化和电子耦合的作用。PIs的内在努力将是对多共轭聚合物链和表面钝化剂进行最先进的计算，这将为提高这些材料的载流子迁移率和远程能量转移指明方向。合成新的聚合物材料，有效地与现有的III-V材料配对，并优化纳米结构设计，将产生一种新的光伏器件结构。非技术总结：该计划旨在通过多学科、多校园合作，包括几个有针对性的努力，直接影响社会。该项目的核心是为各级学生（K-12，本科生，研究生，博士后）提供综合研究和教育。通过参与研究、暑期研讨会和校园交流，SOLAR项目将培养出高技能的研究人员和科学家。该项目的直接成果将在K-12活动中分享最佳实践，共同开发太阳能电池开发研究生课程，强调有机合成/无机材料/建模/分析，URM学生参与太阳能研究以及集体加强产业合作。从更广泛的意义上说，这项研究将提供对有机和无机材料界面以及混合太阳能电池的电学和光学特性的基本理解。这项研究将广泛影响未来混合太阳能电池的基本设计及其效率限制。

TECHNICAL SUMMARY: In this proposal, supported by the NSF CHE-DMR-DMS SOLAR Initiative, PIs describe their vision for new hybrid photovoltaic materials via nanoscale integration of organic and inorganic materials to exploit the unprecedented high extinction coefficient of conjugated polymers and high carrier mobility of the solid-state semiconductors. This study will address many fundamental questions pertinent to organic-inorganic hybrid solar cells that utilize nanoscale structures. Through unique world-class expertise in chemistry, materials, devices and mathematics, this project explores the effects of scale and structure as it applies to interface quality, material structure, energy transfer and electronic behavior. This work includes simultaneous study of polymer synthesis, polymer and nanostructure material as well as geometrical parameter optimization and spectroscopic study and device development. One of the compelling aspects of this work is the synthesis of polymers with complementary absorption and band offset to III-As and III-P inorganic semiconductors supported by mathematical calculations. In parallel, an in depth study will be conducted in the development of optimal nanostructure design for efficient light coupling, absorption and carrier extraction. A primary focus of this work will be on the roles of surface states, surface passivation and electronic coupling between organic semiconductors and inorganic nanostructures in hybrid solar cells. Intrinsic to PIs efforts will be state-of-the-art calculations on multiple conjugated polymer chains and surface passivation agents that will point the way toward enhancing carrier mobility and long-range energy transfer in these materials. Synthesis of new polymer materials to effectively pair with available III-V materials along with optimized nanostructure design will produce a new photovoltaic device fabric. NON-TECHNICAL SUMMARY:This program has been designed to include several targeted efforts to directly impact society through multidisciplinary, multi campus collaboration. At the core of this project is integrated research and education for students at all levels (K-12, undergraduate, graduate, postdoctorates). Through research involvement, summer workshops and campus exchange, this SOLAR program will generate highly skilled researchers and scientists. Direct outcomes of this project will be shared best practices in K-12 activities, a co-developed graduate course in solar cell development to emphasize organic synthesis/inorganic materials/modeling/analysis, URM student involvement in SOLAR research along with collectively strengthened industrial collaboration. In a more general sense, this research will provide fundamental understanding of the organic and inorganic material interfaces as well as electrical and optical properties of the hybrid solar cells. This study will broadly influence the basic design of future hybrid solar cells and their efficiency limits.