Collaborative Research: Optimal Design and Operation of Dye Sensitized Solar Cells Using an Integrated Strategy Involving First-Principles Modeling, Synthesis, and Characterization

合作研究：采用涉及第一性原理建模、合成和表征的综合策略优化染料敏化太阳能电池的设计和运行

• 批准号: 1234993
• 负责人: Daeyeon Lee
• 金额: $ 5万
• 依托单位: University of Pennsylvania
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2012
• 资助国家: 美国
• 起止时间: 2012-08-01 至 2015-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1234993&HistoricalAwards=false
• 关键词: Collaborative; Research; Optimal; Design; Operation

PI: Soroush, Masoud / Lee, DaeyeonProposal Number: 1236180 / 1234993Institution: Drexel University / University of PennsylvaniaTitle: Collaborative Research: Optimal Design and Operation of Dye Sensitized Solar Cells Using an Integrated Strategy Involving First-Principles Modeling, Synthesis, and CharacterizationThis project employs an integrated research strategy involving first principles mathematical modeling and simulation, synthesis and characterization to design solid-state dye sensitized solar cells (DSSCs) with optimal performance, and optimally operate and integrate the cells. Current DSSC technology faces limitations from significant photogenerated charge recombination losses at the photoanode-electrolyte interface. Central to this research is the hypothesis that higher power conversion efficiencies will be obtained by reducing major losses in electrical conduction within the photoanode and electrolyte of the cell. A holistic approach will be taken where a first principles solid-state DSSC mathematical model will provide a detailed understanding of charge transport behavior, which will then efficiently guide the design and fabrication of effective photoanodes and electrolytes that mitigate recombination losses. This approach is expected to lead to design of new energy materials, fabrication of optimized next generation DSSCs with significantly higher solar cell efficiency above current state-of-the-art, and optimal operation and integration of the cells. The ultimate goal of this project is to design and test a highly-efficient DSSC array through model-based optimal design, integration and operation. The proposed study will be conducted using the integrated research strategy. The specific goals of this project are: (a) Develop a detailed macroscopic first principles mathematical model of solid-state DSSCs. (b) Using the developed predictive model, search the DSSC design parameter space systematically to arrive at an optimal design of DSSCs. (c) Investigate the effect of electrophoretic deposition parameters on the structure and composition of TiO2-carbon nanotube (CNT) composites. (d) Study initiated chemical vapor deposition (iCVD) synthesis and processing conditions on pore filling and resulting polymer structure and properties. (e) Fabricate and characterize DSSCs integrating iCVD polymer electrolytes and hole conductors. (f) Fabricate and characterize solid-state DSSCs incorporating TiO2/CNT photoanodes and iCVD polymer electrolytes and hole conductors.The proposed project is expected to benefit society as a whole as we gain a predictive model for creating enhanced energy materials as well as the necessary components for significantly increasing DSSC efficiency above the current ~11% which has been the record for the past 15 years, and approach the theoretical limit of ~30%. In addition, the fundamental knowledge of model and materials development has practical applications in other energy devices such as in fuel cells, supercapacitors and batteries. The ability to create viable, lighter and less expensive polymer and organic based solar cells is expected to establish a strong intellectual property position for replacing silicon technology, and open the door to flexible photovoltaics. The PIs and Co-PI will train and mentor one pre-doctoral and one Master?s research assistants as well as six undergraduate (REU) and several local high school students. The students will participate in broad range of research activities from mathematical modeling to synthesis, processing and characterization. The PIs also plan to be actively involved in various outreach scientific and technological events and activities in the Philadelphia area. The project results will be released to the public at conferences and in journal and conference proceedings papers.

PI：Soroush、Masoud / Lee、Daeyeon 提案编号：1236180 / 1234993 机构：德雷克塞尔大学 / 宾夕法尼亚大学 标题：合作研究：使用涉及第一原理建模、合成和表征的综合策略优化染料敏化太阳能电池的设计和操作该项目采用了综合研究策略，涉及第一原理数学建模和表征 模拟、合成和表征，设计具有最佳性能的固态染料敏化太阳能电池（DSSC），并以最佳方式运行和集成电池。当前的 DSSC 技术面临着光阳极-电解质界面处显着的光生电荷复合损失的限制。这项研究的核心是假设：通过减少电池光电阳极和电解质内电传导的主要损耗，可以获得更高的功率转换效率。将采取整体方法，其中第一原理固态 DSSC 数学模型将提供对电荷传输行为的详细了解，从而有效指导有效光阳极和电解质的设计和制造，以减轻复合损失。这种方法预计将导致新能源材料的设计、优化的下一代 DSSC 的制造（其太阳能电池效率显着高于当前最先进的水平），以及电池的优化运行和集成。该项目的最终目标是通过基于模型的优化设计、集成和运行来设计和测试高效的 DSSC 阵列。拟议的研究将使用综合研究策略进行。该项目的具体目标是： (a) 开发固态 DSSC 的详细宏观第一原理数学模型。 (b) 使用开发的预测模型，系统地搜索 DSSC 设计参数空间，以获得 DSSC 的优化设计。 (c) 研究电泳沉积参数对 TiO2-碳纳米管 (CNT) 复合材料结构和成分的影响。 (d) 研究了化学气相沉积 (iCVD) 合成和加工条件对孔隙填充以及所得聚合物结构和性能的影响。 (e) 制造并表征集成 iCVD 聚合物电解质和空穴导体的 DSSC。 (f) 制造并表征包含 TiO2/CNT 光阳极、iCVD 聚合物电解质和空穴导体的固态 DSSC。拟议的项目预计将使整个社会受益，因为我们获得了一个预测模型，用于创建增强型能源材料以及显着提高 DSSC 效率的必要组件，使其效率高于当前约 11%（过去 15 年的记录），并接近约 30% 的理论极限。此外，模型和材料开发的基础知识在燃料电池、超级电容器和电池等其他能源设备中也有实际应用。制造可行、更轻、更便宜的聚合物和有机太阳能电池的能力有望为取代硅技术奠定强大的知识产权地位，并为柔性光伏打开大门。 PI 和 Co-PI 将培训和指导一名博士前研究助理和一名硕士研究助理以及六名本科生 (REU) 和几名当地高中生。学生将参与从数学建模到合成、处理和表征的广泛研究活动。 PI还计划积极参与费城地区的各种科技推广活动。该项目的结果将在会议、期刊和会议论文集上向公众发布。