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	All-thiol-stabilized Ag44 and Au12Ag32 nanoparticles with single-crystal structures
	Huayan Yang ; Yang HY(杨华艳) ; Yu Wang ; Wang Y(王羽) ; Huaqi Huang ; Huang HQ(黄华奇) ; Lars Gell ; Lauri Lehtovaara ; Sami Malola ; Hannu Häkkinen ; Nanfeng Zheng ; Zheng NF(郑南峰)
	2013-09-04
关键词	Chemical sciences Inorganic chemistry Nanotechnology
英文摘要	该研究工作是在厦门大学郑南峰教授课题组和芬兰于韦斯屈莱大学Hannu Häkkinen课题组共同合作完成的。工作中的合成、结构表征和性能测试是在郑南峰教授指导下由博士生杨华艳（第一作者）和硕士生王羽、黄华奇完成的；Hannu Häkkinen课题组通过理论计算分析了Ag44的电子结构和吸收光谱。; Noble metal nanoparticles stabilized by organic ligands are important for applications in assembly, site-specific bioconjugate labelling and sensing, drug delivery and medical therapy, molecular recognition and molecular electronics, and catalysis. Here we report crystal structures and theoretical analysis of three Ag44(SR)30 and three Au12Ag32(SR)30 intermetallic nanoclusters stabilized with fluorinated arylthiols (SR=SPhF, SPhF2 or SPhCF3). The nanocluster forms a Keplerate solid of concentric icosahedral and dodecahedral atom shells, protected by six Ag2(SR)5 units. Positive counterions in the crystal indicate a high negative charge of 4− per nanoparticle, and density functional theory calculations explain the stability as an 18-electron superatom shell closure in the metal core. Highly featured optical absorption spectra in the ultraviolet–visible region are analysed using time-dependent density functional perturbation theory. This work forms a basis for further understanding, engineering and controlling of stability as well as electronic and optical properties of these novel nanomaterials.; 国家自然科学基金（项目批准号：21131005, 21021061, 20925103）、科技部（项目批准号：2011CB932403, 2009CB930703）和芬兰科学院基金
语种	英语
出版者	Nature Publishing Group
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/56089]
专题	化学化工－已发表论文
推荐引用方式 GB/T 7714	Huayan Yang,Yang HY,Yu Wang,et al. All-thiol-stabilized Ag44 and Au12Ag32 nanoparticles with single-crystal structures[J],2013.
APA	Huayan Yang.,杨华艳.,Yu Wang.,王羽.,Huaqi Huang.,...&郑南峰.(2013).All-thiol-stabilized Ag44 and Au12Ag32 nanoparticles with single-crystal structures..
MLA	Huayan Yang,et al."All-thiol-stabilized Ag44 and Au12Ag32 nanoparticles with single-crystal structures".(2013).

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