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A DDA Calculation on the Optical Properties of Silver Nanorods
Yang Zhilin,Hu Jianqiang,Li Xiuyan,Zhou Haiguang,Tian Zhongqun*
Author NameAffiliationE-mail
Yang Zhilin State Key Laboratory for Physical Chemistry of Solid SurfacesDepartment of ChemistryDepartment of PhysicsXiamen UniversityXiamen 361005  
Hu Jianqiang State Key Laboratory for Physical Chemistry of Solid SurfacesDepartment of ChemistryXiamen UniversityXiamen 361005  
Li Xiuyan Department of PhysicsXiamen UniversityXiamen 361005  
Zhou Haiguang Department of PhysicsXiamen UniversityXiamen 361005  
Tian Zhongqun* State Key Laboratory for Physical Chemistry of Solid SurfacesDepartment of ChemistryXiamen UniversityXiamen 361005 zqtian@xmu.edu.cn 
Abstract:
The optical properties of metal nanoparticles are quite different from those of the bulk materials mainly due to the collective oscillations of their conduction electrons known as the surface plasmon resonance(SPR),which is strongly dependent on the particle shape and size,and the dielectric properties of the local environment where the nanoparticles are embedded in. Based on the discrete dipole approximation(DDA)method,we studied the optical properties of silver nanorods with different aspect ratios in some special dielectric environment including air,water,acetone,methylene chloride and pyridine. The DDA simulation of the ultraviolet-visible(UV-Vis)extinction spectra of silver nanorods with varying aspect ratios shows the plasmons absorption splits into two bands corresponding to the oscillation of the free electrons along and perpendicular to the long axis of the rods. The transverse mode shows almost a fixed resonance at about 350 nm while the resonance of the longitudinal mode is red-shifted and strongly depends on the aspect ratio of the nanorods. An empirical formula was given to predict the peak position of the longitudinal palsmon band of the silver nanorods with different aspect ratios in the air. The calculation result also shows the maximum of the longitudinal plasmon band of a silver nanorod with a fixed aspect ratio depends on the medium dielectric constant in a linear way. The TEM image and corresponding UV-Vis extinction spectrum of silver nanosphere and nanorods synthesized by our lab are in good agreement with the DDA simulation results.
Key words:  Discrete dipole approximation,Nanorods,Nanosphere,Optical properties,Silver
FundProject:
银纳米棒光学性质的离散偶极近似计算
杨志林,胡建强,李秀燕,周海光,田中群*
摘要:
利用离散偶极近似(Discrete dipole approximation,简称DDA)的方法,从理论上对粒子的形状、尺寸及周围介质等因素对银纳米粒子,特别是银纳米棒的光学性质的影响进行了较系统的研究. 计算表明,置于空气中的棒状银纳米粒子的光学性质与其形状密切相关,纵向表面等离子体共振吸收峰的位置随纳米棒长径比的增加呈现线性红移关系. 给出了空气中银纳米棒纵向表面等离子体共振吸收峰的位置随长径比变化的DDA 拟合公式.如果将金属纳米粒子置于折射率更高的介电环境中,其纵向等离子体共振吸收峰的位置进一步呈
关键词:  离散偶极近似  纳米棒  纳米球  光学性质  
DOI:10.1088/1674-0068/17/3/253-258
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