在化学异质的金和银原子集群中的等离子激发之间的差异
Fanjin Zeng1,2, Lin Long1, Shuyi Wang1,3
1College of Big Data and Information Engineering, Guizhou University, Guiyang 550025, China.
Molecules (Basel, Switzerland)
|July 27, 2024
概括
将 (Pd) 和 (Pt) 等过渡金属转化为金和银原子阵列的兴奋剂改变了等离子体峰值. 这项研究揭示了兴奋剂机制,为控制纳米结构中的等离子体行为提供了见解.
科学领域:
- 计算纳米科学 计算纳米科学
- 塑制剂是一种塑制剂.
- 材料科学 材料科学 材料科学
背景情况:
- 兴奋剂纳米粒子影响等离子体峰值,但机制尚不清楚.
- 了解兴奋剂效应对于纳米结构应用至关重要.
研究的目的:
- 研究Pd或Pt兴奋剂如何影响Au和Ag原子阵列中的等离子体峰值.
- 阐明观察到的等离子体峰值演变背后的微观机制.
主要方法:
- 时间依赖密度函数理论 (TD-DFT) 的计算.
- 激发性质和电子结构的分析.
- 电子转移分析.
主要成果:
- 在 10x2 Au/Ag 阵列中,Pd/Pt 兴奋剂扩大和转移了等离子体峰值.
- Au阵列的Pd兴奋剂导致蓝移;Pt兴奋剂导致红移.
- Ag 阵列的 Pt 兴奋剂导致了显著的红移和扩展.
结论:
- 兴奋剂反应取决于d电子能量水平和轨道位置.
- 改变轨道对称性和间隙大小影响等离子体激发.
- 电子转移与激发能量相关,验证了分析方法.
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