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

PI：Soroush，Masoud/Lee，Dayeon Proposal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：使用涉及第一性原理建模、综合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本项目采用一种综合研究策略，涉及第一性原理数学建模和模拟、综合和表征，以设计具有最佳性能的固态染料敏化太阳能电池，并优化操作和集成电池。目前的DSSC技术面临着光阳极-电解液界面严重的光生电荷复合损耗的限制。这项研究的核心假设是，通过减少电池光阳极和电解液中的主要导电损失，将获得更高的功率转换效率。将采取一种整体的方法，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，这将有效地指导有效光阳极和电解液的设计和制造，以减轻复合损失。这种方法有望导致新能源材料的设计，制造出比当前最先进水平更高的太阳能电池效率的优化的下一代直接序列扩频电池，以及电池的最佳操作和集成。本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战略进行。本项目的具体目标是：(A)建立一个详细的固态直接序列存储系统的宏观第一原理数学模型。(B)利用所建立的预测模型，系统地搜索数字信号交换器的设计参数空间，从而得到数字信号交换器的最优设计。(C)研究了电沉积参数对二氧化钛-碳纳米管(CNT)复合材料的结构和组成的影响。(D)研究化学气相沉积(ICVD)合成和加工条件对孔填充和由此产生的聚合物结构和性能的影响。(E)制作和表征集成了ICVD聚合物电解质和空穴导体的DSC。(F)制备和表征包含TiO2CNT光阳极和ICVD型聚合物电解质和空穴导体的固态DSSC。拟议的项目有望造福于整个社会，因为我们获得了一个创造增强能量材料的预测模型，以及显著提高DSSC效率的必要组件，目前的效率在过去15年中一直保持在~11%以上，并接近理论上的~30%。此外，模型和材料开发的基础知识在其他能源设备中也有实际应用，如燃料电池、超级电容器和电池。创造可行、更轻、更便宜的聚合物和有机太阳能电池的能力，预计将为取代硅技术奠定强大的知识产权地位，并为灵活的光伏打开大门。PIs和Co-PI将培训和指导一名博士前和一名硕士？S研究助理，以及六名本科生和几名当地高中生。学生将参与广泛的研究活动，从数学建模到综合、处理和表征。投资促进机构还计划积极参与费城地区的各种外联、科学和技术活动。项目成果将在会议上以及期刊和会议记录文件中向公众公布。

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.