First-principles study on charge transfer in an actinide-containing superatom from surface-enhanced Raman scattering

被引：11
|
作者：
Gao, Yang [1 ,2 ]
Jiang, Wanrun [1 ,2 ]
Chen, Lei [1 ,2 ,3 ]
Wang, Jia [1 ,2 ]
Wang, Zhigang [1 ,2 ]
机构：
[1] Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China
[2] Jilin Univ, Jilin Prov Key Lab Appl Atom & Mol Spect, Changchun 130012, Peoples R China
[3] Jilin Univ, Coll Life Sci, Key Lab Mol Enzymol & Engn, Minist Educ, Changchun 130012, Peoples R China
来源：
JOURNAL OF MATERIALS CHEMISTRY C | 2017年 / 5卷 / 04期
基金：
中国国家自然科学基金;
关键词：
DENSITY-FUNCTIONAL THEORY; SILVER NANOPARTICLES; SINGLE-MOLECULE; CLUSTERS; GOLD; SERS; SPECTROSCOPY; MECHANISM; PYRIDINE; ELEMENTS;
D O I：
10.1039/c6tc04865j
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The 5f-element-containing clusters, An@Ag-14 (An = Ac-, Th, Pa+), can be viewed as superatomic systems (1S(2)1P(6)1D(10)). Taking them to be the surface-enhanced Raman scattering (SERS) substrates, the charge-transfer states (1D(metal) -> pi*(pyridine)) can lead to SERS signal enhancement similar to 10(4) for pyridine-Th@Ag-14 complexes, which is found to be superior to that of pure silver systems.
引用
收藏
页码：803 / 806
页数：4
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