Structural Evolution of Core-Shell Gold Nanoclusters: Au-n(-) (n=42-50)

doi:10.1021/acsnano.6b04330

	Structural Evolution of Core-Shell Gold Nanoclusters: Au-n(-) (n=42-50)
	Pande, Seema 1; Huang, Wei2,4 ; Shao, Nan 3; Wang, Lei-Ming 2,5; Khetrapal, Navneet 1; Mei, Wai-Ning 3; Jian, Tian 2; Wang, Lai-Sheng 2; Zeng, Xiao Cheng 1
	2016-11-01
发表期刊	ACS NANO
摘要	Gold nanoclusters have attracted great attention in the past decade due to their remarkable size dependent electronic, optical, and catalytic properties. However, the structures of large gold clusters are still not well-known because of the challenges in global structural searches. Here we report a joint photoelectron spectroscopy (PES) and theoretical study of the structural evolution of negatively charged core-shell gold nanoclusters (Au-n(-)) for n = 42-50. Photoelectron spectra of size-selected Au-n(-) clusters are well resolved with distinct spectral features, suggesting a dominating structural type. The combined PES data and density functional calculations allow us to systematically identify the global minimum or candidates of the global minima of these relatively large gold nanoclusters, which are found to possess low-symmetry structures with gradually increasing core sizes. Remarkably, the four-atom tetrahedral core, observed first in Au-33(-), continues to be highly robust and is even present in clusters as large as Au-42(-). Starting from Au-43(-), a five-atom trigonal bipyramidal core appears and persists until Au-47(-). Au-48(-) possesses a six-atom core, while Au-49(-) and Au-50(-) feature seven- and eight-atom cores, respectively. Notably, both Au-46(-) and Au-47(-) contain a pyramidal Au-20 motif, which is stacked with another truncated pyramid by sharing a common 10-atom triangular face. The present study sheds light on our understanding of the structural evolution of the medium-sized gold nanoclusters, the shells and core as well as how the core-shell structures may start to embrace the golden pyramid (bulk-like) fragment.
文章类型	Article
关键词	Gold Nanoclusters Structural Evolution Photoelectron Spectroscopy Core-shell Structures Gold Anion Clusters
WOS标题词	Science & Technology ; Physical Sciences ; Technology
DOI	10.1021/acsnano.6b04330
关键词[WOS]	PHOTOELECTRON-SPECTROSCOPY ; GLOBAL OPTIMIZATION ; CATALYTIC-ACTIVITY ; CLUSTER ANIONS ; GAS-PHASE ; OXIDATION ; SIZE ; CHEMISTRY ; TRANSITION ; CAGES
收录类别	SCI
语种	英语
项目资助者	Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research ; Nebraska Center for Energy Sciences Research
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS类目	Chemistry, Multidisciplinary ; Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS记录号	WOS:000388913100029
引用统计	被引频次：38[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/21597
专题	中科院安徽光学精密机械研究所
作者单位	1.Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA 2.Brown Univ, Dept Chem, Providence, RI 02912 USA 3.Univ Nebraska, Dept Phys, Omaha, NE 68182 USA 4.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Lab Atmospher Physicochem, Hefei 230031, Anhui, Peoples R China 5.Konica Minolta Lab USA Inc, 2855 Campus Dr Suite 100, San Mateo, CA 94403 USA
推荐引用方式 GB/T 7714	Pande, Seema,Huang, Wei,Shao, Nan,et al. Structural Evolution of Core-Shell Gold Nanoclusters: Au-n(-) (n=42-50)[J]. ACS NANO,2016,10(11):10013-10022.
APA	Pande, Seema.,Huang, Wei.,Shao, Nan.,Wang, Lei-Ming.,Khetrapal, Navneet.,...&Zeng, Xiao Cheng.(2016).Structural Evolution of Core-Shell Gold Nanoclusters: Au-n(-) (n=42-50).ACS NANO,10(11),10013-10022.
MLA	Pande, Seema,et al."Structural Evolution of Core-Shell Gold Nanoclusters: Au-n(-) (n=42-50)".ACS NANO 10.11(2016):10013-10022.

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