Collaborative Research: Fundamental Study of Environmentally Stable and Lead-Free Chalcogenide Perovskites for Optoelectronic Device Engineering

合作研究：用于光电器件工程的环境稳定、无铅硫系钙钛矿的基础研究

• 批准号: 2013640
• 负责人: Nikhil Koratkar
• 金额: $ 37.05万
• 依托单位: Rensselaer Polytechnic Institute
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-06-01 至 2024-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2013640&HistoricalAwards=false
• 关键词: Collaborative; Research; Fundamental; Study; Environmentally

Nontechnical:Solar energy is one of the most promising green technologies and could enable humankind to meet its future energy needs in a sustainable manner. The development of high performance, low cost and environmentally friendly solar cells is therefore critical for our energy security. One of the most promising new class of materials for solar energy is metal halide perovskites. The power conversion efficiency of solar cells made from such perovskites has witnessed an unprecedented rate of increase. Despite their outstanding performance, perovskites have poor stability and are prone to photo-decomposition due to ion migration. There are also serious issues with their environmental compatibility as the highest performing perovskite solar cells contain lead, a highly poisonous metal. Furthermore, lead iodide, a common decomposition product of these materials, is carcinogenic. In the face of these challenges, it is necessary to identify and develop high performing and lead free perovskites that are intrinsically stable under light irradiation and when exposed to the environment. This project will investigate solar cells based on chalcogenide perovskites—an alternative to metal halide perovskites typically used in solar cells. These materials are free of lead and use a chalcogen such as sulfur, which could result in superior stability. This project could lead to a new class of high performance and environmentally stable solar cells and photodetectors with transformative impacts.Technical:A number of fundamental science and device engineering issues will be addressed in this project in order to enable the successful deployment of chalcogenide perovskite based materials in high performing optoelectronic devices such as photo-detectors and solar cells. These include: (1) understanding the nature of defects in these materials, and how they affect the dark current, band structure, mid gap states, and carrier lifetimes. The chalcogenide perovskite material growth conditions will be carefully controlled, to minimize such defects; (2) Alloying strategies to optimize the band gap of chalcogenide perovskite based materials will be theoretically predicted using first-principles density functional theory calculations. Such alloying will also be experimentally realized to demonstrate chalcogenide perovskite materials with optimized bandgaps; (3) State of the art machine learning tools (guided by ab initio calculations and experiments) will be used to systematically screen the entire family of chalcogenide perovskite materials in order to find the optimal material and alloying combination; (4) Photo-detector and solar cell devices constructed using the optimized chalcogenide perovskite material will be developed and systematically characterized to demonstrate the proof of concept. The above tasks will together provide the fundamental knowledge that is needed to demonstrate high performing, environmentally stable and lead free optoelectronic devices using the family of chalcogenide perovskite materials.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.

非技术性：太阳能是最有前途的绿色技术之一，可以使人类以可持续的方式满足其未来的能源需求。因此，高性能，低成本和环保太阳能电池的发展对于我们的能源安全至关重要。太阳能最有希望的新材料之一是金属卤化物钙钛矿。由这种钙壶制成的太阳能电池的功率转化效率见证了前所未有的增加率。尽管其出色的性能，但钙壶的稳定性较差，并且由于离子迁移而容易出现照片分类。它们的环境兼容性也存在严重的问题，这是含有铅的最高性钙钛矿太阳能电池，一种高毒金属。此外，碘化铅是这些材料的常见分解产物，具有致癌性。面对这些挑战，有必要识别和发展高性能并带领自由的钙钛矿，在光照射下以及暴露于环境时本质上稳定。该项目将基于硫化硫酸盐钙晶的太阳能电池进行研究，这是一种通常用于太阳能电池中的金属卤化物钙钛矿的替代品。这些材料不含铅，并使用硫酸基因（例如硫），这可能会导致较高的稳定性。该项目可能会导致新的高性能和环境稳定的太阳能电池和具有变革性影响的光电电池。其中包括：（1）了解这些材料中缺陷的性质，以及它们如何影响黑流，带状结构，间隙状态和载体寿命。将仔细控制甲状腺素的钙钛矿材料生长条件，以最大程度地减少此类缺陷。 （2）使用第一原理密度函数理论计算，将在理论上预测基于甲状腺素化的钙钛矿材料的带隙的合金策略。这种合金还将在实验中实现，以证明具有优化带镜的甲状腺素钙钛矿材料。 （3）ART机器学习工具的状态（在刚算计算和实验的指导下）将用于系统地筛选整个甲状腺素化的钙钛矿材料，以找到最佳的材料和合金组合； （4）将开发使用优化的甲藻蛋白酶钙钛矿材料构建的光探测器和太阳能电池设备，并系统地表征以证明概念证明。上述任务将共同提供基本知识，以证明使用Chalcogenide perovskite材料家族来展示高性能，环境稳定和无线电的无光电设备。该奖项反映了NSF的法定任务，并通过使用该基金会的知识分子和更广泛的影响来评估NSF的法定任务，并被视为珍贵的支持。