Gutiérrez Yael, Ortiz Dolores, Saiz José M, González Francisco, Everitt Henry O, Moreno Fernando
Department of Applied Physics, University of Cantabria, Avda. Los Castros, s/n., 39005 Santander, Spain.
Department of Physics, Duke University, Durham, NC 27708, USA.
Nanomaterials (Basel). 2017 Dec 4;7(12):425. doi: 10.3390/nano7120425.
For applications of surface-enhanced spectroscopy and photocatalysis, the ultraviolet (UV) plasmonic behavior and charge distribution within rhodium nanocubes is explored by a detailed numerical analysis. The strongest plasmonic hot-spots and charge concentrations are located at the corners and edges of the nanocubes, exactly where they are the most spectroscopically and catalytically active. Because intense catalytic activity at corners and edges will reshape these nanoparticles, distortions of the cubical shape, including surface concavity, surface convexity, and rounded corners and edges, are also explored to quantify how significantly these distortions deteriorate their plasmonic and photocatalytic properties. The fact that the highest fields and highest carrier concentrations occur in the corners and edges of Rh nanocubes (NCs) confirms their tremendous potential for plasmon-enhanced spectroscopy and catalysis. It is shown that this opportunity is fortuitously enhanced by the fact that even higher field and charge concentrations reside at the interface between the metal nanoparticle and a dielectric or semiconductor support, precisely where the most chemically active sites are located.
对于表面增强光谱学和光催化应用，通过详细的数值分析来探究铑纳米立方体中的紫外（UV）等离子体行为和电荷分布。最强的等离子体热点和电荷浓度位于纳米立方体的角和边缘，恰恰是它们在光谱学和催化方面最活跃的地方。由于角和边缘处的强烈催化活性会重塑这些纳米颗粒，因此还研究了立方体形状的畸变，包括表面凹陷、表面凸起以及圆角和圆边，以量化这些畸变对其等离子体和光催化性能的恶化程度。铑纳米立方体（NCs）的角和边缘出现最高场强和最高载流子浓度这一事实证实了它们在等离子体增强光谱学和催化方面的巨大潜力。结果表明，由于在金属纳米颗粒与电介质或半导体载体的界面处存在更高的场强和电荷浓度，而这里恰好是最具化学活性的位点所在，这一机会被意外地增强了。
