Unraveling a generic growth pattern in structure evolution of thiolate-protected gold nanoclusters
Xu, WW; Li, YD; Gao, Y; Zeng, XC; 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.; 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.
2016
发表期刊NANOSCALE
ISSN2040-3364
卷号8期号:14页码:7396—7401
文章类型期刊文献
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.
关键词X-ray Crystallography Theoretical-analysis Crystal-structure Optical-properties Structure Prediction Magic Size Nanoparticles Cluster Au-25 1st-principles
DOI10.1039/c6nr00272b
收录类别SCI
语种英语
WOS记录号WOS:000373722000005
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/25886
专题中科院上海应用物理研究所2011-2018年
通讯作者Gao, Y; 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.; 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.
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Xu, WW,Li, YD,Gao, Y,et al. Unraveling a generic growth pattern in structure evolution of thiolate-protected gold nanoclusters[J]. NANOSCALE,2016,8(14):7396—7401.
APA Xu, WW.,Li, YD.,Gao, Y.,Zeng, XC.,Gao, Y .,...&Zeng, XC .(2016).Unraveling a generic growth pattern in structure evolution of thiolate-protected gold nanoclusters.NANOSCALE,8(14),7396—7401.
MLA Xu, WW,et al."Unraveling a generic growth pattern in structure evolution of thiolate-protected gold nanoclusters".NANOSCALE 8.14(2016):7396—7401.
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