Automatized colloidal particle synthesis for knowledge-based product design

本项目的目的是建立一个研究平台，用于快速采样、高重复性、自动化合成量子受限半导体纳米颗粒(量子点、量子点)。量子点之所以被选中，是因为它们具有新颖的、增强的尺寸依赖的光电性质，这使它们成为新兴的电子器件和可再生能源领域的理想候选者。然而，最小量子点的受控合成遵循复杂的方案，需要非常有经验的实验者。获得复杂的结构-性能关系，其中颗粒尺寸分布(PSD)的最小偏差、周围无机壳的存在和组成的偏差、甚至表面化学的偏差对产品性能(吸光度和发射)具有最大影响。通过自动化和快速采样的手段，应包括以下几点：i)将复杂的实验室方案转移到自动化的工作流程，ii)最大限度地排除人为因素以在苛刻的合成条件下获得优异的重现性，iii)建立重要的工艺-结构-性能关系，Iv)快速有效地筛选用于材料开发的大参数空间，以及v)提取动力学参数以从机理上了解颗粒的形成。解决这些方面是必要的，以明确地了解过程链中从小积木到功能器件的哪些步骤质量损失，以及如何设计和处理新材料以获得最佳产品性能。虽然第一个资助期的目标是系统的表征和合理筛选程序的发展，但第二个资助期的重点是制定包括成核、生长和成熟在内的颗粒形成过程的机械研究程序。在这种情况下，还需要开发一种合理的高通量(HT)后处理，用于纯化和分类。在第一个资助期内，应遵循以下方向：首先，针对两者的HT合成和HT表征协议，应开发以PSD为指标的分散性和以量子产率(QY)为指标的产品性质。同时，将建立颗粒形成早期阶段的可重复采样(&lt；10 S)。然后，应根据加热和冷却配置文件以及特性混合时间对系统特性进行详细调查。后者对于第一个供资期间的最后部分非常重要，在那里将有效地筛选较大的参数空间，并建立重要的流程-结构和结构-财产职能。

Aim of this project is to establish a research platform for highly reproducible, automatized synthesis of quantum confined semiconductor nanoparticles (quantum dots, QDs) with fast sampling. QDs were chosen due to their novel and enhanced size-dependent opto-electronic properties which make them ideal candidates in the emerging fields of electronic devices and renewable energy. However, the controlled synthesis of smallest QDs follows elaborate protocols that require highly experienced experimentalists. Complex structure-property relationships are obtained where minimal deviations in the particle size distribution (PSD), deviations in the presence and composition of a surrounding inorganic shell or even deviations in the surface chemistry have maximum effects on the product properties (absorbance and emission).By means of automatization and rapid sampling the following points shall be covered: i) transfer of complex lab protocols to automatized workflows, ii) exclusion of the human factor to a maximum extend for superior reproducibility at demanding synthesis conditions, iii) establishment of important process-structure-property relationships, iv) fast and efficient screening of large parameter spaces for material development and v) extraction of kinetic parameters for a mechanistic understanding of particle formation. Addressing these aspects is necessary to get an unambiguous understanding at which steps within the process chain from small building blocks towards functional devices quality is lost and how new materials need to be designed and processed for optimum product properties.While the aim of the first funding period is the characterization of the system and the development of rational screening routines, the focus of the second funding period is determined by the development of routines for mechanistic investigations of particle formation processes including nucleation, growth and ripening. In this context, a reasonable high throughput (HT) post-processing in terms of purification and classification needs to be developed as well. Thus, HT particle synthesis will be established as a highly reliable approach for the determination of optimum synthesis protocols.Within the first funding period the following directions shall be followed: First, HT synthesis and HT characterization protocols for both, dispersity in terms of the PSD and product property in terms of the quantum yield (QY) shall be developed. In parallel, a reproducible sampling during early stages of particle formation (< 10 s) will be established. Then, a detailed investigation of the system characteristics in terms of heating and cooling profiles but also with respect to characteristic mixing times shall be realized. The latter are of major importance with respect to the last part of the first funding period where large parameter spaces will be efficiently screened and important process-structure as well as structure-property functions will be established.