Medium-sized Au-40(SR)(24) and Au-52(SR)(32) nanoclusters with distinct gold-kernel structures and spectroscopic features
Xu, WW; Li, YD; Gao, Y; Zeng, XC; Gao, Y (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China.
2016
发表期刊NANOSCALE
ISSN2040-3364
卷号8期号:3页码:1299—1304
文章类型期刊文献
摘要We have analyzed the structures of two medium-sized thiolate-protected gold nanoparticles (RS-AuNPs) Au-40(SR)(24) and Au-52(SR)(32) and identified the distinct structural features in their Au kernels [Sci. Adv., 2015, 1, e1500425]. We find that both Au kernels of the Au-40(SR)(24) and Au-52(SR)(32) nanoclusters can be classified as interpenetrating cuboctahedra. Simulated X-ray diffraction patterns of the RS-AuNPs with the cuboctahedral kernel are collected and then compared with the X-ray diffraction patterns of the RS-AuNPs of two other prevailing Au-kernels identified from previous experiments, namely the Ino-decahedral kernel and icosahedral kernel. The distinct X-ray diffraction patterns of RS-AuNPs with the three different types of Au-kernels can be utilized as signature features for future studies of structures of RS-AuNPs. Moreover, the simulated UV/Vis absorption spectra and Kohn-Sham orbital energy-level diagrams are obtained for the Au-40(SR)(24) and Au-52(SR)(32), on the basis of time-dependent density functional theory computation. The extrapolated optical band-edges of Au-40(SR)(24) and Au-52(SR)(32) are 1.1 eV and 1.25 eV, respectively. The feature peaks in the UV/Vis absorption spectra of the two clusters can be attributed to the d -> sp electronic transition. Lastly, the catalytic activities of the Au-40(SR)(24) and Au-52(SR)(32) are examined using CO oxidation as a probe. Both medium-sized thiolate-protected gold clusters can serve as effective stand-alone nanocatalysts.
关键词Thiolate-protected Au-38 Theoretical-analysis Crystal-structure Co Oxidation Optical-properties Structure Prediction Magic Size Clusters Nanoparticles Molecules
DOI10.1039/c5nr07810e
收录类别SCI
语种英语
WOS记录号WOS:000368040200006
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/25771
专题中科院上海应用物理研究所2011-2018年
通讯作者Gao, Y (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China.
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GB/T 7714
Xu, WW,Li, YD,Gao, Y,et al. Medium-sized Au-40(SR)(24) and Au-52(SR)(32) nanoclusters with distinct gold-kernel structures and spectroscopic features[J]. NANOSCALE,2016,8(3):1299—1304.
APA Xu, WW,Li, YD,Gao, Y,Zeng, XC,&Gao, Y .(2016).Medium-sized Au-40(SR)(24) and Au-52(SR)(32) nanoclusters with distinct gold-kernel structures and spectroscopic features.NANOSCALE,8(3),1299—1304.
MLA Xu, WW,et al."Medium-sized Au-40(SR)(24) and Au-52(SR)(32) nanoclusters with distinct gold-kernel structures and spectroscopic features".NANOSCALE 8.3(2016):1299—1304.
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