论文标题
通过边界元素方法模拟具有双层型形状的金纳米颗粒的等离子谐振
Simulating Plasmon Resonances of Gold Nanoparticles with Bipyramidal Shapes by Boundary Element Methods
论文作者
论文摘要
据报道，金纳米型（GNB）（GNBS）的局部表面等离子体共振（LSPR）吸收特性的计算模型和准确的模拟，这是一类金属纳米粒子，具有高度可调的，几何依赖性的光学特性。具有球形尖端的GNB Bicone模型在重现实验LSPR光谱方面表现最佳，而与其他几何模型的比较则提供了对碱形状的基本理解，并对GNBS光学特性的影响有了尖端的影响。我们的结果表明，从传输电子显微镜图像确定的所有几何参数以构建GNB的代表性模型的重要性。 By assessing the performances of LSPR absorption spectra simulations based on a quasi-static approximation, we provided an applicability range of this approach as a function of the nanoparticle size, paving the way to the theoretical study of the coupling between molecular electron densities and metal nanoparticles in GNB-based nanohybrid systems, with potential applications in the design of nanomaterials for bioimaging, optics和光催化。
Computational modeling and accurate simulations of localized surface plasmon resonance (LSPR) absorption properties are reported for gold nanobipyramids (GNBs), a class of metal nanoparticle that features highly tunable, geometrydependent optical properties. GNB bicone models with spherical tips performed best in reproducing experimental LSPR spectra while the comparison with other geometrical models provided a fundamental understanding of base shapes and tip effects on the optical properties of GNBs. Our results demonstrated the importance of averaging all geometrical parameters determined from transmission electron microscopy images to build representative models of GNBs. By assessing the performances of LSPR absorption spectra simulations based on a quasi-static approximation, we provided an applicability range of this approach as a function of the nanoparticle size, paving the way to the theoretical study of the coupling between molecular electron densities and metal nanoparticles in GNB-based nanohybrid systems, with potential applications in the design of nanomaterials for bioimaging, optics and photocatalysis.
