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氧吸附对Ag纳米粒子光学性能的影响

Elena Zerbato¹, Riccardo Farris², Giovanna Fronzoni¹

¹Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Trieste, Via L. Giorgieri 1, Trieste 34127, Italy.

The journal of physical chemistry. A

|December 1, 2023

概括

氧化通过改变其电子结构来灭银纳米颗粒的光收获能力. 这项研究揭示了氧气吸附如何影响等离子体共振,影响纳米粒子应用.

科学领域:

材料科学材料科学材料科学
物理化学物理化学
纳米技术纳米技术

背景情况:

塑金属纳米粒子 (例如,Ag,Au,Cu) 由于它们的光采集能力,对于传感和能源应用至关重要.
虽然尺寸,形状和成分影响纳米粒子的光学特性,但氧化的影响仍然不太清楚.

研究的目的:

为了研究氧吸附对银 (Ag) 纳米粒子光学特性的影响.
阐明氧化后等离子体共振变化背后的机制.

主要方法:

密度函数理论 (DFT) 计算,以评估氧化装饰的Ag纳米粒子的热力学特性.
时间依赖密度函数理论 (TD-DFT) 用于计算光吸收光谱.

主要成果:

确定了具有氧化边缘的稳定的Ag纳米粒子结构.
在氧吸附时观察到Ag纳米颗粒中等离子体性质的显著火.
将等离子火与Ag *sp*轨道在与吸附氧气的结合中的参与联系起来.

结论:

氧吸附使银纳米颗粒的等离子性质不稳定.
了解氧化效应对于在氧化环境中应用等离子体纳米粒子至关重要.
这项研究提供了有关氧化条件下的等离子体介导过程的见解.

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