LEAPS-MPS: Tunable Hybrid Materials for Studying Charge Transport

该奖项的全部或部分资金来自2021年美国救援计划法案（公法117-2）。非技术性摘要为了满足到2050年全球能源需求预计将增长150%的需求，需要对当前的太阳能转换技术进行改进。通过这个LEAPS-MPS项目，PI正在研究混合金属有机材料薄膜中电荷传输的可调谐性。从这项研究中获得的信息将是有用的，在确定重要的电荷传输相关过程的结构-性能关系，并有助于光伏器件材料的合理设计。光伏发电被认为是满足全球能源需求的最有前途的技术之一。这项研究是在一个主要的本科院校进行的。它吸引了各种各样的本科生，包括女性，第一代大学生（FGCS）和代表性不足的少数民族（URM）在教学和研究实验室的高影响力研究经验。为了增加学生在STEM管道的参与，PI开发了两个远程访问的化学和生物化学专业的实验室活动作为该项目的一部分。其他活动包括辅导FGCS和URM学生，并为当地女童子军（4-8年级）举办在线外联讲习班。为了增加社区中成千上万人的可及性，苏教授通过会议演讲、工作坊、在线化学教育期刊和闭路字幕免费在线视频传播教学材料。太阳能转换技术的改进需要更好地理解控制电荷传输的结构-性质关系。在这个项目中，混合有机-无机材料，金属-有机框架（MOFs），层状和柱状叶轮拓扑结构的薄膜合成。量化的影响的分子连接器，支柱，和离子成分的数量协调在MOF薄膜上的电荷传输，和客体分子和电荷转移途径之间的关系，在MOF薄膜探测使用从头计算和表面敏感光谱。所获得的热力学和光谱数据集提供定量和定性的结构-性质关系，其将MOF结构和组成与活化能、带隙和电导率相关。补充教育活动将远程访问的实验室活动整合到高年级化学实验室课程和科学推广中，以提高技术技能，并将代表性不足的少数民族，第一代学生和妇女保留在STEM管道中。该奖项反映了NSF的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

This award is funded in whole or in part under the American Rescue Plan Act of 2021 (Public Law 117-2).Non-Technical Summary Improvements in current solar energy conversion technologies are needed to meet the predicted 150% growth in global energy demand by 2050. With this LEAPS-MPS project, the PI is investigating the tunability of charge transport in thin films of hybrid metal-organic materials. Information obtained from this research will be useful in determining the structure-property relationships governing important charge transport-related processes and contribute to the rational design of materials for photovoltaic devices. Photovoltaics is considered one of the most promising technologies for meeting global energy demands. The research is conducted at a primarily undergraduate institution. It engages a diverse array of undergraduate students, including women, first generation college students (FGCS), and underrepresented minorities (URM) in high-impact research experiences both in teaching and research laboratories. To increase student participation in the STEM pipeline, the PI develops two remotely accessible laboratory activities for chemistry and biochemistry majors as part of this project. Additional activities include mentoring FGCS and URM students, and conducting online outreach workshops for local Girl Scouts (grades 4-8). To increase accessibility to thousands of people in the community, Prof. So disseminates teaching materials through conference presentations, workshops, online chemical education journals, and closed-captioned, free online videos. Technical Summary Improvements in solar energy conversion technologies require a better understanding of the structure-property relationships that govern charge transport. In this project, thin films of hybrid organic-inorganic materials, metal-organic framework (MOFs), of layered and pillared paddlewheel topologies are synthesized. The impact of the number of molecular linkers, pillars, and ionic components coordinated in MOF thin films on charge transport is quantified, and the relationship between guest molecules and charge transfer pathways in MOF films is probed using ab initio calculations and surface-sensitive spectroscopies. The obtained thermodynamic and spectroscopic datasets provide quantitative and qualitative structure-property relationships which relate MOF structure and composition to activation energy, band gap, and conductivity. Complementary education activities integrate remotely accessible laboratory activities into upper division chemistry laboratory courses and science outreach to increase technical skills and retain underrepresented minority, first generation students, and women in the STEM pipeline.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.