Energy States of Ligand Capped Ag Nanoparticles: Relating Surface Plasmon Resonance to Work Function
Energy States of Ligand Capped Ag Nanoparticles: Relating Surface Plasmon Resonance to Work Function
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DOI：
10.1021/jp5073044
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发表时间：
2014-10-30
影响因子：
3.7
通讯作者：
Prinz, Fritz B.
中科院分区：
文献类型：
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作者：
Dadlani, Anup L.;Schindler, Peter;Prinz, Fritz B.
对有机配体包覆银纳米粒子的功函数（WF）和表面等离子体共振（SPR）进行了实验和计算研究。实验观察显示，随着配体覆盖的银NPs尺寸的增加，WF显著增加，这与之前在裸银NPs中观察到的趋势相反。计算结果证实了简化配体分子对WF的影响，并将其与Ag核与周围配体之间的电荷转移联系起来。我们还观察到WF的增加和SPR跃迁能的减少之间可能存在耦合，这一结果得到了计算结果的支持，并归因于体系的4d和5s电子态之间的相互作用。这些结果，以及我们对WF依赖于配体选择的观察，表明通过尺寸和配体控制可以强烈地设计金属NPs的电子结构
The work function (WF) and surface plasmon resonance (SPR) of organic ligand capped Ag nanoparticles (NPs) have been studied experimentally and computationally. Experimental observations reveal a significant increase in WF as the size of ligand-capped Ag NPs increases, a trend contrary to that previously observed for bare Ag NPs. Computational results confirm the effect on the WF from simplified ligand molecules and relate it to charge transfer between the Ag core and surrounding ligands. We also observe a possible coupling between increases in WF and decreases in SPR transition energy, supported by computational results and attributed to the interplay between the 4d and 5s electron states of the system. These results, along with our observations of WF dependence on ligand choice, indicate the ability to strongly engineer the electronic structure of metal NPs through size and ligand control