SOLAR Optical Hyperdoping: Transforming Semiconductor Band Structure for Solar Energy Harvesting

技术概要：该研究项目的目标是探索改变半导体材料的电子能带结构和光学特性的新方法，以便将其转化为更有效的太阳能转换器。电子能带结构将被修改的光学超掺杂通过飞秒激光照射在各种气体的存在下。该工艺导致比使用其他方法可能的更高水平的掺杂。为了更好地理解和优化光学超掺杂的动力学，该团队将开发新的数学工具来模拟超掺杂过程，重点关注与不寻常能带结构相关的量子力学，以及理解和控制非平衡过程本身的方法。PI的多学科团队将整合光学超掺杂的数学和连续建模、量子水平的理论化学和建模、光电子材料的材料科学以及表面和界面化学方面的专业知识，共同致力于创造和理解具有变革潜力和更广泛影响的新材料。为了应对利用地球上丰富的材料（如Si和TiO 2）收集太阳能的挑战，需要采取变革性的方法来提高效率，降低制造成本，并减少材料需求。虽然这些材料已经被广泛研究，但来自哈佛大学的一个多学科团队带来了一种新的方法来改变半导体的特性，从而为更高效的太阳能电池打开大门。此外，该研究的多学科性质为参与该项目的学生和博士后提供了独特的培训，结合了材料科学和化学的协同实验计划，紧密结合了材料过程的数学分析和能带结构的量子力学计算的理论计划。该项目由化学，材料研究，和数学科学

TECHNICAL SUMMARY: The goal of this research project is to explore new methods to alter electronic band structure and therefore the optical properties of semiconductor materials so as to transform them into more efficient solar energy converters. The electronic band structure will be modified by optical hyperdoping via femtosecond laser irradiation in the presence of various gases. This process leads to higher levels of doping than are possible using other methods. To better understand and optimize the dynamics of optical hyperdoping, the team will develop new mathematical tools for modeling the hyperdoping process, focusing on the quantum mechanics associated with the unusual band structure, as well as methods for understanding and controlling the non-equilibrium process itself. The multidisciplinary team of PIs will integrate expertise in mathematics and continuum modeling of optical hyperdoping, theoretical chemistry and modeling at the quantum level, materials science of optoelectronic materials, and chemistry of surfaces and interfaces to make a concerted attack on creating and understanding new materials with transformative potential and broader impacts.NON-TECHNICAL SUMMARY: Meeting the challenge of harvesting solar energy with Earth-abundant materials such as Si and TiO2 require transformative approaches to increase efficiency, lower manufacturing cost, and reduce material requirements. While these materials have been widely studied, a multidisciplinary team from Harvard University brings a new approach to modifying the properties of semiconductors so as to open the door to more efficient solar cells. In addition, the multidisciplinary nature of the research provides unique training for students and postdocs involved in the project, with a synergistic experimental program combining materials science and chemistry, intimately coupled to a theoretical program combining mathematical analysis of the materials processes and quantum mechanical calculations of the band structure.This project is co-funded by the Divisions of Chemistry, Materials Research, and Mathematical Sciences.