NER: Coordinated Multi-scale Simulations and In situ Electron Microscopy to Elucidate the Mechanics of Nanowire Formations

NER：协调多尺度模拟和原位电子显微镜以阐明纳米线形成的机制PI：朱迪思·杨，匹兹堡大学Co-PI：Kyeongjae Cho，斯坦福大学为了从机理上了解通过金属纳米颗粒催化的气-液-固(VLS)模型形成纳米线，将利用原位和非原位电子显微镜(Yang)和理论方法(CHO)进行协调实验。我们将集中在一个模型系统上，例如金催化的硅纳米线生长。杨的团队将应用原位和非原位电子显微镜来表征纳米线的生长，并特别关注金属/纳米线的界面。Cho的团队将利用他的分级多尺度模拟，以第一原理的准确性对特定的催化反应进行模拟。该计划将通过本科生的暑期研究和高级项目，在薄膜和理论/模拟课程以及本科生方面为研究生教育做出贡献。

NER: Coordinated Multi-scale Simulations and In situ Electron Microscopy to Elucidate the Mechanisms of Nanowire FormationsPI: Judith Yang, University of PittsburghCo-PI: Kyeongjae Cho, Stanford UniversityTo gain mechanistic understanding of nanowire formation via the vapor-liquid-solid (VLS) model as catalyzed by metal nanoparticles, a coordinated experimental, utilizing in situ and ex situ electron microscopy (Yang) and theoretical approach (Cho) will be conducted. We will focus on one model system, such as Au-catalyzed Si nanowire growth. Yang's team will apply in situ and ex situ electron microscopy to characterize the growth of the nanowire, with special attention to the metal/nanowire interface. Cho's team will utilize his hierarchical multi-scale simulations with first-principles accuracy for a specific catalytic reaction. This program will contribute to graduate education in terms of a thin films and theory/simulations classes as well as to undergraduates, via undergraduate summer research and senior projects.