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题名:
Unraveling a generic growth pattern in structure evolution of thiolate-protected gold nanoclusters
作者: Xu, WW; Li, YD; Gao, Y; Zeng, XC
刊名: NANOSCALE
出版日期: 2016
卷号: 8, 期号:14, 页码:7396—7401
关键词: X-RAY CRYSTALLOGRAPHY ; THEORETICAL-ANALYSIS ; CRYSTAL-STRUCTURE ; OPTICAL-PROPERTIES ; STRUCTURE PREDICTION ; MAGIC SIZE ; NANOPARTICLES ; CLUSTER ; AU-25 ; 1ST-PRINCIPLES
DOI: 10.1039/c6nr00272b
通讯作者: Gao, Y (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water & Key Lab Interfacial Phys, Shanghai 201800, Peoples R China. ; Gao, Y (reprint author), Chinese Acad Sci, Shanghai Sci Res Ctr, Shanghai 201204, Peoples R China. ; Gao, Y ; Zeng, XC (reprint author), Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA. ; Zeng, XC (reprint author), Univ Sci & Technol China, Collaborat Innovat Ctr Chem Energy Mat, Hefei 230026, Anhui, Peoples R China.
文章类型: 期刊文献
英文摘要: Precise control of the growth of thiolate-protected gold nano-clusters is a prerequisite for their applications in catalysis and bioengineering. Here, we bring to bear a new series of thiolate-protected nanoclusters with a unique growth pattern, i.e., Au-20(SR)(16), Au-28(SR)(20), Au-36(SR)(24), Au-44(SR)(28), and Au-52(SR)(32). These nanoclusters can be viewed as resulting from the stepwise addition of a common structural motif [Au-8(SR)(4)]. The highly negative values of the nucleus-independent chemical shift (NICS) in the center of the tetrahedral Au-4 units suggest that the overall stabilities of these clusters stem from the local stability of each tetrahedral Au-4 unit. Generalization of this growth-pattern rule to large-sized nanoclusters allows us to identify the structures of three new thiolate-protected nanoclusters, namely, Au-60(SR)(36), Au-68(SR)(40), and Au-76(SR)(44). Remarkably, all three large-sized nanoclusters possess relatively large HOMO-LUMO gaps and negative NICS values, suggesting their high chemical stability. Further extension of the growth-pattern rule to the infinitely long nanowire limit results in a one-dimensional (1D) thiolate-protected gold nanowire (RS-AuNW) with a band gap of 0.78 eV. Such a unique growth-pattern rule offers a guide for precise synthesis of a new class of large-sized thiolate-protected gold nanoclusters or even RS-AuNW which, to our knowledge, has not been reported in the literature.
收录类别: SCI
语种: 英语
WOS记录号: WOS:000373722000005
ISSN号: 2040-3364
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.sinap.ac.cn/handle/331007/25886
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Recommended Citation:
Xu, WW,Li, YD,Gao, Y,et al. Unraveling a generic growth pattern in structure evolution of thiolate-protected gold nanoclusters[J]. NANOSCALE,2016-01-01,8(14):7396—7401.
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