Metal Nanoparticles with Gain toward Single-Molecule Detection by Surface-Enhanced Raman Scattering

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	Metal Nanoparticles with Gain toward Single-Molecule Detection by Surface-Enhanced Raman Scattering
	Li, ZY ; Xia, YN
刊名	NANO LETTERS
	2010
卷号	10 期号:1 页码:243
关键词	OPTICAL-PROPERTIES GOLD NANOCAGES LASER SPECTROSCOPY NANOCRYSTALS EXCITATION SPASER DIPOLE SERS
ISSN号	1530-6984
通讯作者	Li, ZY: Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Lab Opt Phys, POB 603, Beijing 100190, Peoples R China.
中文摘要	We present a detailed study of optical absorption spectra of finite-size structures, using a method based on time-dependent density-functional theory (TDDFT), which involves a self-consistent field for the propagation of the Kohn-Sham wavefunctions in real-time. Although our approach does not provide a straightforward assignment of absorption features to corresponding transitions between Kohn-Sham orbitals, as is the case in frequency-domain TDDFT methods, it allows the use of larger timesteps while conserving total energy and maintaining stable dipole moment oscillations. These features enable us to study larger systems more efficiently. We demonstrate the efficiency of our method by applying it to a hydrogen-terminated silicon cluster consisting of 364 atoms, with and without P impurities. For cases where direct comparison to experiment can be made, we reproduce the absorption features of fifteen small molecules [N2, O2, O3, NO2, N2O, NH3, H2O, H2CO, H2CO3, CO2, CH4, C2H2, C2H4, C2H6, C6H6] and find generally good agreement with experimental measurements. Our results are useful for the detection and the determination of orientation of these molecules.
收录类别	SCI
资助信息	National Natural Science Foundation of China [10525419, 60736041, 10874238]; State Key Development Program for Basic Research of China [2006CB302901, 2007CB613205]
语种	英语
公开日期	2013-09-18
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/41918]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Li, ZY,Xia, YN. Metal Nanoparticles with Gain toward Single-Molecule Detection by Surface-Enhanced Raman Scattering[J]. NANO LETTERS,2010,10(1):243.
APA	Li, ZY,&Xia, YN.(2010).Metal Nanoparticles with Gain toward Single-Molecule Detection by Surface-Enhanced Raman Scattering.NANO LETTERS,10(1),243.
MLA	Li, ZY,et al."Metal Nanoparticles with Gain toward Single-Molecule Detection by Surface-Enhanced Raman Scattering".NANO LETTERS 10.1(2010):243.