Trap Assisted Dynamical Processes in Semiconductor Nanocrystals

半导体纳米晶体中的陷阱辅助动态过程

• 批准号: 1464497
• 负责人: Xiaosong Li
• 金额: $ 40万
• 依托单位: University of Washington
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-09-15 至 2018-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1464497&HistoricalAwards=false
• 关键词: Trap; Assisted; Dynamical; Processes; Semiconductor

The Macromolecular, Supramolecular and Nanochemistry (MSN) Program supports Professors Xiaosong Li and David Gamelin of the University of Washington to develop new nanoscale chemical structures that are useful for the emergence of next-generation information processing or energy conversion technologies. Chemical processes in semiconductor nanostructures are ubiquitous in energy conversion, energy storage, and efficient lighting, as well as in information processing and storage technologies. This integrated approach of synthesis, spectroscopy, and theory yields new and powerful avenues for describing fundamental properties that govern the important chemical processes in functional semiconductor nanostructures. This collaborative project, which involves both theoretical calculations and experimental synthesis and measurement also provides a mechanism for advanced interdisciplinary education and training that spans materials science, theory, inorganic chemistry, electronic structure analysis, dynamics analysis, and spectroscopy, and prepares participating undergraduate and graduate students for future careers in science and technology. Through a combination of high-school and community outreach, undergraduate research mentoring, and engagement with faculty at primarily undergraduate institutions, this project promotes and fosters participation of a broad spectrum of youth in science and engineering activities.This project uses a balanced theoretical and experimental approach to develop a fundamental understanding of various trap-assisted dynamical processes in semiconductor nanostructures. New computational methods using a first-principles spin-Hamiltonian within the time-dependent density functional theory framework are being developed for predicting and modeling trap-assisted dynamical processes. New computational approaches in conjunction with spectroscopic/spectroelectrochemical techniques are applied to investigations of trap-state assisted energy transfer processes and excited state dynamics that allow their microscopic origins to be defined thoroughly. Key structural parameters within the nanocrystals are to be systematically chemically modified. Theoretical and experimental determination of the parameters allows modulation or control of trap-state assisted processes in impurity-containing semiconductor nanocrystals.

高分子、超分子和纳米化学（MSN）项目支持华盛顿大学的李小松教授和大卫·加梅林教授开发新的纳米级化学结构，这些结构有助于下一代信息处理或能量转换技术的出现。 半导体纳米结构中的化学过程在能量转换、能量存储、高效照明以及信息处理和存储技术中无处不在。这种合成、光谱学和理论的综合方法为描述控制功能半导体纳米结构中重要化学过程的基本特性提供了新的、强大的途径。 该合作项目既涉及理论计算，又涉及实验合成和测量，还提供了涵盖材料科学、理论、无机化学、电子结构分析、动力学分析和光谱学的高级跨学科教育和培训机制，并为参与的本科生和研究生做好准备学生未来从事科学和技术职业。通过结合高中和社区外展、本科生研究指导以及与主要本科院校教师的接触，该项目促进和培养广大青年参与科学和工程活动。该项目采用平衡的理论和实验方法对半导体纳米结构中的各种陷阱辅助动力学过程有基本的了解。正在开发在时间相关的密度泛函理论框架内使用第一原理自旋哈密尔顿的新计算方法，用于预测和建模陷阱辅助动力学过程。新的计算方法与光谱/光谱电化学技术相结合，应用于陷阱态辅助能量转移过程和激发态动力学的研究，从而可以彻底定义它们的微观起源。 纳米晶体内的关键结构参数将被系统地化学修饰。参数的理论和实验确定允许调制或控制含杂质的半导体纳米晶体中的陷阱态辅助过程。