Quantum Mechanical Examination of Optical Absorption Spectra of Silver Nanorod Dimers
Quantum Mechanical Examination of Optical Absorption Spectra of Silver Nanorod Dimers
复制标题
银纳米棒二聚体光学吸收光谱的量子力学检验
DOI：
10.1007/978-90-481-2985-0_12
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发表时间：
2009
影响因子：
--
通讯作者：
Christine M. Aikens
中科院分区：
文献类型：
--
作者：
J. Vincenot;Christine M. Aikens
采用含时密度泛函理论计算了五角形银纳米棒Ag 19 + 1、Ag 25 + 1和Ag 31 + 1的二聚体的吸收光谱。光谱的定性特征与激子耦合模型和以前的实验和理论结果吻合得很好。在端到端取向中，纵向峰随着距离的减小而红移。对于并排的二聚体，横向峰分裂的颗粒间的距离减小，由于破缺，和纵向峰蓝移随着距离的减小略有。在两个子系统的电子密度重叠的非常短的粒子间距离的吸收光谱的计算需要量子力学计算。在短距离下，单体峰的能量和强度发生了很大变化，并出现了新的激发峰
Time-dependent density functional theory calculations are employed to examine the optical absorption spectra of dimers of the pentagonal silver nanorods Ag19 +1, Ag25 +1, and Ag31 +1. The qualitative features of the spectra agree well with the exciton-coupling model and with previous experimental and theoretical results. In the end-to-end orientation, longitudinal peak red-shifts with decreasing distance. For side-by-side dimers, the transverse peak splits as the interparticle distance decreases due to symmetry-breaking, and the longitudinal peak blue-shifts slightly with decreasing distance. Quantum mechanical calculations are required for the calculation of absorption spectra at very short interparticle distances where the electron densities of the two subsystems overlap. At short distances, the energies and intensities of the monomer peaks change substantially and new excitation peaks emerge
影响因子：
10.8
作者：
Lassiter, J. Britt;Aizpurua, Javier;Halas, Naomi J.
通讯作者：
Halas, Naomi J.