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Qi Li1 Rongchao Jin1

1, Carnegie Mellon University, Pittsburgh, Pennsylvania, United States

In this work, we demonstrate three different doping modes when an atomically-precise nanocluster: [Au23(SR)16]− is doped with different metals (Cd, Cu, Ag), including (i) simple substitution, (ii) surface reconstruction and (iii) total structure transformation. Both experimental and theoretical results demonstrate that the dopant concentration is critical: the original structure of [Au23(SR)16] is retained under slight doping, but it starts to change under high concentrations of Cd and Ag dopants. Our results suggest that doping in nanoclusters is not just a simple substitution of original atoms or filling a vacant site; instead, it can be explored as a useful method to tailor the structure of nanoclusters partially (e.g., Cd doping of Au23) or totally (e.g., Ag doping of Au23). Overall, this work greatly expands doping chemistry for tailoring the structures of nanoclusters and is expected to open new avenues for designing nanoclusters with novel structures using different dopants.

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