Fig. 8
From: Precise control of alloying sites of bimetallic nanoclusters via surface motif exchange reaction

DFT-optimized structures of Ag44−x @Au x nanoclusters. a Top and b side views of one outer shell Ag2(SR)5 motif of [Ag44(SR)30]4− (SR denotes thiolate ligand; color legend: Ag (light blue), S (yellow), and H (white)) substituted by Au (red) and the formation of the Au staple motif, and c proposed structure of [Ag32@Au12(SR)30]4− by complete replacement of 12 outer shell Ag atoms. For ease of computation, the –SR is simplified as –SH