De novo design of Au₃₆(SR)₂₄ nanoclusters.

ABSTRACT: The discovery of atomically precise nanoclusters is generally unpredictable, and the rational synthesis of nanoclusters guided by the theoretical design is still in its infancy. Here we present a de novo design of Au₃₆(SR)₂₄ nanoclusters, from theoretical prediction to experimental synthesis and characterization of their physicochemical properties. The crystal structure of an Au₃₆(SR)₂₄ nanocluster perfectly matches the simulated structural pattern with Au₄ tetrahedral units along a two-dimensional growth. The Au₃₆(SR)₂₄ nanocluster indeed differs from its structural isomer whose kernel is dissected in an Au₄ tetrahedral manner along a one-dimensional growth. The structural isomerism in the Au₃₆

SUBMITTER: Liu X 

PROVIDER: S-EPMC7335185 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature