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Research Article

Bridging localized electron states of pyrite-type CoS2 cocatalyst for activated solar H2 evolution

Hengming Huang1,2Chen Xue3Zhenggang Fang1Zhiliang Wang2Bin Luo2Menglong Sun1Ling Zhou1Kan Hu1Jiahui Kou1( )Lianzhou Wang2( )Chunhua Lu1( )
Jiangsu Collaborative Innovation Center for Advanced Inorganic Function Composites Jiangsu National Synergetic Innovation Center for Advanced Materials State Key Laboratory of Materials-Oriented Chemical Engineering College of Materials Science and Engineering Nanjing Tech UniversityNanjing 211816 China
Nanomaterials Centre School of Chemical Engineering Australian Institute for Bioengineering and Nanotechnology The University of Queensland QLD 4072 Australia
Research Institute for Electronic Science and Graduate School of Environmental Science Hokkaido University Hokkaido 001-0020 Japan
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Graphical Abstract


The development of low-cost and high-active cocatalysts is one of the most significant links for photocatalytic water splitting. Herein, a novel strategy of electron delocalization modulation for transition metal sulfides has been developed by anion hybridization. P-modified CoS2 (CoS2|P) nanocrystals were firstly fabricated via a gas-solid reaction and coupled with CdS nanorods to construct a composite catalyst for solar H2 evolution reaction (HER). The CdS/CoS2|P catalyst shows an HER rate of 57.8 μmol·h−1, which is 18 times that of the bare CdS, 8 times that of the CdS/CoS2, and twice that of Pt/CdS. The reduced energy barrier and suppressed reverse reaction for HER on the catalyst have been predicted and explained by density functional theory (DFT) calculation. The underlying design strategy of novel cocatalysts by electron delocalization modulation may shed light on the rational development of other advanced catalysts for energy conversion.

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Nano Research
Pages 202-208
Cite this article:
Huang H, Xue C, Fang Z, et al. Bridging localized electron states of pyrite-type CoS2 cocatalyst for activated solar H2 evolution. Nano Research, 2022, 15(1): 202-208.






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Received: 20 January 2021
Revised: 24 February 2021
Accepted: 18 March 2021
Published: 21 April 2021
© Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature 2021