De novo design of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 32620825.
- Also identified by DOI 10.1038/s41467-020-17132-5 and PMC identifier 7335185.
- Licence recorded as CC BY.
- The licence permits redistribution, so the abstract is shown in full and the full text is available from the publisher.
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 Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters, from theoretical prediction to experimental synthesis and characterization of their physicochemical properties. The crystal structure of an Au<sub>36</sub>(SR)<sub>24</sub> nanocluster perfectly matches the simulated structural pattern with Au<sub>4</sub> tetrahedral units along a two-dimensional growth. The Au<sub>36</sub>(SR)<sub>24</sub> nanocluster indeed differs from its structural isomer whose kernel is dissected in an Au<sub>4</sub> tetrahedral manner along a one-dimensional growth. The structural isomerism in the Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters further induces distinct differences in ultrafast electron dynamics and chirality. This work will not only promote the atomically precise synthesis of nanoclusters enlightened by theoretical science, but also open up exciting opportunities for underpinning the widespread applications of structural isomers with atomic precision.