研究目的
Investigating the effects of shape, composition, and shell thickness on the localized surface plasmon resonance behavior of plasmonic nanoparticles using a user-friendly graphical user interface based on the Wulff construction.
研究成果
The study demonstrates the applicability of the Wulff construction GUI to model the plasmonic properties of various NP shapes, including single crystal, twinned, and core?shell structures. The results, consistent with the literature, show the simplicity and power of the coupled use of the GUI and DDSCAT to predict the plasmonic response of metallic nanomaterials.
研究不足
The GUI currently supports only the three most stable fcc facets and does not allow for core and shell of different shapes or thickness variations at the NP edges and tips. The minimum thickness that can be modeled is limited by computational time.
1:Experimental Design and Method Selection:
The study employs a MATLAB-based standalone GUI that models the shape of fcc NPs using the modified kinetic Wulff construction theory and creates input files for DDSCAT simulations.
2:Sample Selection and Data Sources:
The study focuses on Au, Ag, and Al NPs of various shapes, including cubes, octahedra, bipyramids, and decahedra, as well as core?shell structures.
3:List of Experimental Equipment and Materials:
The GUI and DDSCAT software are the primary tools used for modeling and simulation.
4:Experimental Procedures and Operational Workflow:
The GUI allows for the modeling of NP shapes, generation of dipole arrays, and creation of input files for DDSCAT simulations to calculate optical properties.
5:Data Analysis Methods:
The optical properties, including scattering and absorption cross sections, are calculated and analyzed to understand the effects of shape, composition, and shell thickness on LSPR behavior.
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