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首页> 外文期刊>Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy >The study of resonance Raman scattering spectrum on the surface of Cu nanoparticles with ultraviolet excitation and density functional theory
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The study of resonance Raman scattering spectrum on the surface of Cu nanoparticles with ultraviolet excitation and density functional theory

机译：紫外激发和密度泛函理论研究铜纳米粒子表面的共振拉曼散射光谱

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摘要

Cu colloid was prepared by oxidation-reduction; it was relatively steady in fixed conditions, with size about 10-30 nm. The Raman spectrum of p-hydroxybenzoic acid (PHBA) in Cu colloid solution with the ultraviolet (UV) excitation at 325 nm, was obtained, even it is usually difficult to obtain Raman signals in Ag or An in the UV region. It was found that the Raman signal intensities result from the resonance enhanced of surface plasmon resonance of Cu nanoparticles excited at 325 nm. The adsorption behavior of PHBA on the Cu nanoparticles was studied by combining with density functional theory (DFT); it was found that the calculated Raman frequencies were in good agreement with experimental value. So one can conclude that the simplified model is probably reasonable to describe some resonance Raman experiments. (c) 2006 Elsevier B.V. All rights reserved.
机译：通过氧化还原制备铜胶体。它在固定条件下相对稳定，尺寸约为10-30 nm。获得铜胶体溶液中对羟基苯甲酸（PHBA）的拉曼光谱，并在325 nm处进行紫外线（UV）激发，即使通常很难在UV区域的Ag或An中获得拉曼信号。发现拉曼信号强度是由于在325nm激发的Cu纳米颗粒的表面等离子体激元共振的共振增强而产生的。结合密度泛函理论（DFT）研究了PHBA在Cu纳米颗粒上的吸附行为。发现计算的拉曼频率与实验值吻合良好。因此，可以得出这样的结论：简化的模型对于描述某些共振拉曼实验可能是合理的。 （c）2006 Elsevier B.V.保留所有权利。

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