New Surface Chemistries and Process Innovations in the Production of Surface Functionalized Semiconductor Nanoparticles

机械力化学方法制备的表面烷基功能化的硅纳米粒子是这些研究的重点。在机械力化学过程中，硅在活性有机液体存在的情况下，通过机械磨损来粉碎大小。当新鲜的表面硅原子在粉碎过程中暴露出来时，它们与有机介质反应生成功能化的纳米颗粒。这项研究的科学价值在于三个具体目标：1)将这一概念扩展到包括炔烃、烯烃和双烯及其杂原子类似物在内的新化学物质；2)评估通过机械化合成快速生产尺寸均匀的功能化纳米颗粒的工艺创新；以及3)对表面功能化纳米颗粒的溶解性和相行为进行建模。“点击”化学的使用将被探索为增加硅表面的复杂性和创建功能体系结构的一种方式。新的功能化纳米颗粒的主要特征是它们的光电学特性。分子动力学模拟将被用来阐明表面链长度对相行为的影响以及导致相分离的粒间作用力。通过多相机械力化学合成的研究将实现工艺创新，这将为纳米颗粒的功能化、分离和生产开辟新的途径。广泛的影响包括功能化的纳米硅颗粒在荧光生物染色标记、纳米颗粒激光和太阳能领域的潜在应用。教育和外展活动包括为本科生提供研究经验，少数族裔参与研究项目，以及通过德国学术交流计划获得国际研究机会。

Silicon nanoparticles with alkyl-functionalized surfaces formed by mechanochemical methods are the focus of these investigations. In the mechanochemical process, silicon is comminuted in size using mechanical attrition in the presence of a reactive organic liquid. As fresh surface silicon atoms are exposed in the comminution process, they react with the organic medium to create functionalized nanoparticles. The scientific merit of the research lies in three specific goals: 1) to extend the concept to new chemistries including alkynes, alkenes, and dienes and their heteroatom anologues; 2) to evaluate process innovations that lead to the rapid production of uniform-sized functionalized nanoparticles via mechanochemical synthesis; and 3) to model the solubility and phase behavior of surface functionalized nanoparticles. The use of "click" chemistry will be explored as a way of increasing the complexity of the silicon surface and to create a functional architecture. New functionalized nanoparticles will be characterized primarily for their optoelectronic properties. Molecular dynamics simulations will be used to elucidate the effect of surface chain length on phase behavior and interparticle forces the lead to phase separation. Process innovations will be achieved through the study of multi-phase mechanochemical synthesis which will open new avenues to nanoparticle functionalization, separation, and production.Broader impacts include the potential applications for functionalized silicon nanoparticles in the areas of fluorescent biological staining labels, nanoparticle lasers, and solar energy. Educational and outreach activities include research experiences for undergraduates, minority participation in research projects, and international research opportunities through the German Academic Exchange Program.