Multiscale Theoretical Modeling of Plasmonic Sensing of Hydrogen Uptake in Palladium Nanodisks
Multiscale Theoretical Modeling of Plasmonic Sensing of Hydrogen Uptake in Palladium Nanodisks
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DOI：
10.1021/jz3007723
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发表时间：
2012-09-20
影响因子：
5.7
通讯作者：
Aizpurua, J.
中科院分区：
文献类型：
--
作者：
Ameen Poyli, M.;Silkin, V. M.;Aizpurua, J.
从理论上研究了钯纳米盘吸氢过程中的光学性质。的Pd-H介电性质的从头算量子力学描述和一个完整的电动力学研究的光散射在H-改性的Pd纳米盘的组合，使我们能够跟踪的局部表面等离子体的位移作为在Pd-H盘的H浓度的函数。我们遵循的Pd-H α和β相的不同混合物的等离子体激元峰值能量的演变和定量解释的等离子体激元能量转移H吸收后的结构不均匀性的实验灵敏度。我们的多尺度理论框架为结构域的等离子体激元传感以及识别金属氢化物系统中的H饱和条件提供了坚实的背景。
We study theoretically the optical properties of palladium nanodisks during hydrogen uptake. A combination of an ab initio quantum mechanical description of the Pd-H dielectric properties and a full electrodynamical study of light scattering in the H-modified Pd nanodisks allows us to trace the shift of the localized surface plasmon as a function of the H concentration in the Pd-H disk. We follow the evolution of the plasmon peak energy for different admixtures of the Pd-H alpha and beta phases and interpret quantitatively the experimental sensitivity of the plasmon energy shift to the structural inhomogeneity upon H absorption. Our multiscale theoretical framework provides a solid background for plasmonic sensing of structural domains, as well as for identifying H saturation conditions in metal hydride systems.