DMREF: SusChEM: Collaborative Research: Rapid Design of Earth Abundant Inorganic Materials for Future PVs

简介：电力是美国发展最快的行业之一，全球对电力的需求也在快速增长。对许多国家来说，它们的经济增长依赖于寻找低成本和现成的电力供应。在这个项目中，新的地球丰富的半导体及其光电特性和低成本加工技术的鉴定将影响未来薄膜光伏（PV）的制造方式。该项目的成功研究成果将有助于广泛使用光伏作为美国以及世界其他地区可持续能源经济的丰富电力来源。研究和教育的综合性质将培养和共同指导研究生和本科生的跨学科技能，这些技能对于开发创新解决方案至关重要，因为他们加入工作场所并为美国在新兴能源领域的领导地位做出贡献。技术描述：该项目将发展基础科学知识，从而识别和大规模使用由地球丰富元素组成的新型半导体材料用于光伏（PV）。该项目的核心方面是其所有三个研究重点之间的紧密耦合：(1)通过使用第一性原理计算的计算筛选，对有前途的地球丰富材料进行快速搜索和合理设计；(2)通过化学精细控制，通过液相合成有前景的材料，并测量其材料和光电性能；(3)制造功能性太阳能电池，并发展从第一原理估计的属性与器件性能之间的科学关系，有助于电子应用材料的“逆向设计”。计算估计和实验测量的材料和电子特性之间的持续反馈将允许在所有三个研究重点中改进方法，从而从巨大的搜索空间中快速筛选大量材料。项目努力将确定最有希望的高效太阳能电池的地球丰富的材料。

DMREF: SusChEM: Rapid Design of Earth Abundant Inorganic Materials for Future PVsNon-technical Description: Electricity is on of the fastest growing sectors in the U.S. and the worldwide demand for electricity is also on a rapid rise. For many countries, their economic growth is dependent on finding low-cost and readily available supply of electricity. Identification of new earth-abundant semiconductors along with their optoelectronic properties and low-cost processing technology in this project will influence how future thin-film photovoltaics (PV) are fabricated. The successful research outcome of the project will contrbute toward widespread use of PV as an abundant source of electricity for a sustainable energy economy in the U.S. as well as the rest of the world. The integrative nature of the research and education will train and co-mentor graduate and undergraduate students in cross-disciplinary skills that are essential for developing innovative solutions as they join the workplace and contribute to the U.S. leadership in the burgeoning field of energy. Technical Description: This project will develop the fundamental scientific knowledge that will lead to the identification and large-scale use of new semiconducting materials composed of earth-abundant elements for photovoltaics (PV). The central aspect of the project is a close coupling among all three of its research thrusts to: (1) conduct rapid search and rational design of promising earth-abundant materials through computational screening using first principles calculations; (2) synthesize promising materials by solution phase providing exquisite control through chemistry and to measure their material and optoelectronic properties; and (3) fabricate functioning solar cells and develop scientific relationship between the properties estimated from the first principles and device performance contributing toward 'inverse designs' of material for electronic applications. An ongoing feedback among computational estimates and experimentally measured material and electronic properties will allow refinement of the methods in all three research thrusts leading to rapid screening of large number of materials from a vast search space. Project efforts will identify the most promising earth-abundant materials for high efficiency solar cells.