Rational Design of Zero-Dimensional Gold Cluster/Two-Dimensional TMD Heterostructures for Enhanced Photocatalytic and Optoelectronic Performance.

Wang, Xiaoning; Xiang, Mei; Abulimiti, Bumaliya; Ma, Jingyao; Hu, Wei · Nano Lett · 2025

basic_science · Level V

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Abstract

In optoelectronic conversion technologies and photocatalytic applications, single-component materials often face limitations such as low carrier separation efficiency and restricted bandgap tunability. To overcome the limitations of single-component materials in optoelectronics and photocatalysis, we constructed 0D/2D van der Waals heterostructures (vdWHs) by loading gold clusters (Au<sub><i>n</i></sub>, <i>n</i> = 4, 10, and 20) onto monolayer transition metal dichalcogenides (TMDs). Notably, the Au<sub>20</sub>/MoS<sub>2</sub> vdWH exhibits Z-scheme charge transfer behavior, which promotes efficient electron-hole separation while retaining a high redox potential, thereby significantly improving its photoelectrochemical performance. Furthermore, a comparative analysis of the formation mechanisms and UV-visible absorption spectra of the Z-scheme Au<sub>20</sub>/MoS<sub>2</sub> and conventional type-II Au<sub>20</sub>/WTe<sub>2</sub> vdWHs reveals that Au<sub>20</sub> loading markedly improves the light absorption capabilities of the TMD monolayers, increasing absorption by 33.62% and 18.01%, respectively. This work offers a design strategy for high-performance optoelectronic devices and demonstrates that tuning vdWH types enhances their efficiency in applications.