Discovering of Atomically Precise Metal Nanoclusters by High-Throughput Syntheses Platform.

Understanding the complete structure of noble metal nanoclusters is both academically and practically significant. However, progress has been hindered by the low synthetic efficiency of many nanocluster syntheses. In this study, we present the first high-throughput syntheses of homo-gold, homo-copper, and gold-copper alloy nanoclusters in dichloromethane at room temperature. Through high-throughput screening, we successfully obtained three nanoclusters in a single reaction: Au 18 (SC 6 H 11 ) 14 , [Au 41 Cu 66 (SC 6 H 11 ) 44 ](SbF 6 ) 3 , and an unidentified copper cluster (referred to as Au 18 , Au 41 Cu 66 , and Cu-NC). The optimized synthesis route was achieved with the assistance of machine learning for experimental data analysis, which also guided the synthesis of other metal nanoclusters such as Au 40 Cu 34 (4-S-PhF) 40 (Au 40 Cu 34 ), [Au 6 Cu 6 (SPh) 12 ] n ([Au 6 Cu 6 ] n ), and Au 18 Cu 32 (3,5-C 8 H 9 S) 36 (Au 18 Cu 32 )). This research demonstrates that high-throughput screening can be a valuable tool in accelerating the development of nanocluster syntheses.