Continuous Flow Synthesis and Simulation-Supported Investigation of Tunable Plasmonic Gold Patchy Nanoparticles

This is the dataset for the following manuscript "Continuous Flow Synthesis and Simulation-Supported Investigation of Tunable Plasmonic Gold Patchy Nanoparticles". Abstract Plasmonic nanoparticles have intriguing optical properties which make them suitable candidates for sensing or theranostic applications. Anisotropic patchy particles, where metal is locally deposited on the surface of a core particle, exhibit plasmon resonances that can be specifically adjusted for these applications. However, many existing synthesis routes are complex, yield too little material, or provide particles with limited optical tunability. In this work, we present a simple and scalable continuous flow synthesis of gold-on-polystyrene patchy particles with widely adjustable optical properties. By increasing the chloride concentration in the electroless deposition of gold, we slow down the redox reduction kinetics and obtain a dense patch morphology as well as a reduced nucleation rate. The latter is counteracted by introducing a low-level seeding approach where a small number of gold nanocrystals heterocoagulate with the core particles prior to patch growth. Seeding and patch growth are performed in a continuous flow set-up with two T-shaped milli-mixers. The resulting patchy particle samples exhibit a tunable dipolar plasmon peak between 600 nm and 1100 nm. We also investigate the structure-property relationship for our gold patchy particles using Finite Element Method simulations. After identifying a suitable patch shape model, we elucidate the influence of individual geometric parameters on the optical properties and show that the relationship holds true for a large range of patch coverages. Finally, we apply the relationship to explain the time-dependent change in the optical properties of as-synthesized patches by correlating it with the patch shape transformation revealed by electron microscopy. The uploaded data are sorted by figure.本数据集对应下述学术论文：《可调谐等离子体金补丁纳米颗粒的连续流合成与模拟辅助研究》（Continuous Flow Synthesis and Simulation-Supported Investigation of Tunable Plasmonic Gold Patchy Nanoparticles）。 摘要 等离子体纳米颗粒（plasmonic nanoparticles）具备独特的光学特性，可作为传感或诊疗（theranostic）应用的候选材料。各向异性补丁颗粒——指金属局部沉积于核颗粒表面的颗粒——其等离子体共振峰可针对此类应用实现精准调节。然而，现有多数合成路径存在步骤繁琐、产物产量偏低，或所制备颗粒的光学可调性有限等缺陷。 本研究开发了一种简单且可规模化的连续流合成方法，用于制备光学特性可大范围调节的聚苯乙烯负载金补丁颗粒。通过提高化学镀金过程中的氯离子浓度，可减缓氧化还原反应的动力学进程，进而获得致密的补丁形貌，并降低成核速率。为抵消成核速率降低的不利影响，我们引入了低浓度晶种策略：在补丁生长阶段前，使少量金纳米晶与核颗粒发生异质絮凝。晶种处理与补丁生长均通过搭载两个T型微混合器的连续流装置完成。 所制备的补丁颗粒样品具备可调谐的偶极等离子体共振峰，波长覆盖600 nm至1100 nm区间。我们还借助有限元法（Finite Element Method）模拟，探究了此类金补丁颗粒的结构-性能关联规律。在确定合适的补丁形状模型后，我们阐明了各几何参数对光学特性的影响，并证实该规律适用于大范围的补丁覆盖率。最后，我们将该规律用于解释合成后补丁颗粒光学特性的时变变化，将其与电子显微镜观测到的补丁形貌转变进行关联。 上传的数据已按图片分类整理。