期刊
CHEMICAL COMMUNICATIONS
卷 56, 期 20, 页码 2995-2998出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d0cc00134a
关键词
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资金
- Natural Science Foundation of China [11974195, 11804174, 11804175, 11874033]
- K. C. Wong Magna Fund in Ningbo University
- University of Nebraska Holland Computing Center
A new atomic structure of chiral thiolate-protected gold nanocluster Au-22(SR)(17)(-) is predicted on the basis of the new ligand-binding strategy, namely, redistributing the Au-S staple motifs on the well-known Au-10 core from previously laboratory-determined Au-21(SR)(15) crystal structure. Density functional theory calculations show that this structure is very likely the realistic structure for the synthesized Au-22(SR)(17)(-).
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