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Isomeric effects in rod-shaped Au20 clusters: a comparative study on near-infrared photothermal enhancement
Minjian Wu1, Lin Qin2, Linhua Wang1
1MOE Key Laboratory of Cluster Sciences, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 102488, P. R. China. lyyao@bit.edu.cn.
Abstract:
In this work, we report two rod-shaped Au20 clusters with distinct core configurations and 14 free electrons, offering an important atomically precise model to probe structure-property relationships. A key finding is that ligand-tuned shortening of Au-Au bonds and a slight structure distortion within the cluster core decisively enhance photothermal conversion efficiency and tune NIR-II emission. The most compact Au20 architecture achieves a photothermal conversion efficiency of 25% and extends emission into the NIR-II window at 1190 nm. These results establish bond-length engineering as a powerful and generalizable design principle for tuning the functional properties of atomically precise metal nanoclusters, opening new avenues for the development of high-performance photothermal and luminescent materials.
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