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Updated: Jul 27, 2025

Author Spotlight: Tracking Electrochemistry on Single Nanoparticles with Surface-Enhanced Raman Scattering Spectroscopy and Microscopy
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Author Spotlight: Tracking Electrochemistry on Single Nanoparticles with Surface-Enhanced Raman Scattering Spectroscopy and Microscopy

Published on: May 12, 2023

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基于原子电磁模型的表面增强拉曼散射的QM/经典建模

Piero Lafiosca1, Luca Nicoli1, Luca Bonatti1

  • 1Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy.

Journal of chemical theory and computation
|June 6, 2023
PubMed
概括

新的多尺度方法模拟了在等离子纳米结构上的分子的表面增强拉曼散射 (SERS) 光谱. 这些量子力学 (QM) / 频率依赖的波动电荷 (ωFQ) 和双极 (ωFQFμ) 方法可以准确预测SERS光谱.

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