Temperature Evolution of Plasmonic Probes for Tip-Enhanced Raman Scattering

IF 3.3 3区 化学 Q2 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry C Pub Date : 2024-11-20 DOI:10.1021/acs.jpcc.4c05812
Sergey P. Polyutov, Daniil E. Khrennikov, Artem S. Kostyukov, Maxim A. Visotin, Lasse K. Sørensen, Valeriy S. Gerasimov, Alexander E. Ershov, Sergey V. Karpov, Hans Ågren
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Abstract

This work delves into the processes leading to the evolution of nanofocusing plasmonic probes utilized in applications like tip-enhanced Raman spectroscopy, primarily under temperature growth. We identify stable crystallographic configurations of possible plasmonic tips that can withstand external influence, retain their original shape, and preserve their performance to enhance the local electromagnetic field under heat exposure. Employing molecular dynamics simulations, we study the behavior of plasmonic probes in the shape of sharp-edged gold nanotetrahedra as a case study. This makes it possible to observe the evolution of the shape and its impact on the light-concentrating performance of such probes. We identify the origin of shape instability and demonstrate that the migration of surface atoms from the tip area serves as the primary driver of shape variability in highly nonspherical plasmonic nanoparticles. By modeling the optical characteristics of the plasmonic probes utilizing the atomic discrete interaction model and finite element methods, we track alterations in the local electromagnetic field close to the apex of these gold nanotetrahedra at the plasmon resonance wavelength in the process of evolution. This analysis provides insight into the evolution of the field enhancement factor as the plasmonic tips degrade over time.

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用于尖端增强拉曼散射的等离子探针的温度演变
这项研究深入探讨了在尖端增强拉曼光谱等应用中使用的纳米聚焦等离子探针的演变过程,主要是在温度增长的条件下。我们确定了可能的等离子体尖端的稳定晶体结构,这些晶体结构可以承受外部影响,保持原有形状,并在热暴露条件下保持其增强局部电磁场的性能。通过分子动力学模拟,我们以尖角金纳米四面体为例,研究了等离子探针的行为。这使得我们有可能观察形状的演变及其对此类探针聚光性能的影响。我们确定了形状不稳定性的根源,并证明了表面原子从尖端区域的迁移是高度非球形等离子纳米粒子形状变化的主要驱动力。通过利用原子离散相互作用模型和有限元方法对等离子探针的光学特性进行建模,我们跟踪了这些金纳米四面体顶点附近等离子共振波长的局部电磁场在演化过程中的变化。通过这一分析,我们可以深入了解等离子体尖端随时间退化时场增强因子的演变情况。
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来源期刊
The Journal of Physical Chemistry C
The Journal of Physical Chemistry C 化学-材料科学:综合
CiteScore
6.50
自引率
8.10%
发文量
2047
审稿时长
1.8 months
期刊介绍: The Journal of Physical Chemistry A/B/C is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
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