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Efficient charge transfer in WS2/WxMo1−xS2 heterostructure empowered by energy level hybridization

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Abstract

Photoinduced charge transfer (CT) is decisive to the efficiency and speed of photoelectric conversion in two-dimensional (2D) van der Waals (vdWs) heterostructures. Generally, CT rate enhancement is realized by increasing the band offset (BO). In this study, we propose that a fast and efficient CT can be realized via strong hybridization of energy levels in 2D vdWs heterostructures with minimal BO. First-principles calculations reveal that the smallest energy difference between conduction-band edges and minimal BO in the WS2/WxMo1−xS2 (x = 0.78) heterostructure yields the strong hybridization of energy levels and then results in ultrafast CT (2.7 ps). Experimental results agree with theoretical calculations. The photoluminescence of WS2 is quenched in the WS2/WxMo1−xS2 (x = 0.78) heterostructure, attributable to the strong hybridization-induced fast and efficient CT. This study provides insights into the mechanism of CT in heterostructures and offers new strategies to create superior optoelectronic devices with fast and efficient photoelectric conversion.

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Acknowledgements

This work was supported by National Key Research and Development Program of China (Grant Nos. 2019YFA0308000, 2017YFA0205700, 2017YFA0204800), National Natural Science Foundation of China (Grant Nos. 61927808, 61774034, 21525311, 91963130, 62174026), Jiangsu Province Basic Research Plan (Grant No. BK20170694), Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB30000000), and Fundamental Research Funds for the Central Universities.

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Author notes

  1. An X H and Zhang Y H have the same contribution to this work.

Authors and Affiliations

  1. Southeast University, School of Physics and Key Laboratory of MESMS of the Ministry of Education, Nanjing, 211189, China

    Xuhong An, Yehui Zhang, Yuanfang Yu, Weiwei Zhao, Yutian Yang, Junpeng Lu, Jinlan Wang & Zhenhua Ni

  2. Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei, 230031, China

    Xuan Luo

  3. New Energy Technology Engineering Laboratory of Jiangsu Province and School of Science, Nanjing University of Posts and Telecommunications, Nanjing, 210023, China

    Xianghong Niu

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  1. Xuhong An
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  2. Yehui Zhang
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Correspondence to Junpeng Lu, Jinlan Wang or Zhenhua Ni.

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Appendix A. The supporting information is available online at info.scichina.com and link.springer.com. The supporting materials are published as submitted, without typesetting or editing. The responsibility for scientific accuracy and content remains entirely with the authors.

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An, X., Zhang, Y., Yu, Y. et al. Efficient charge transfer in WS2/WxMo1−xS2 heterostructure empowered by energy level hybridization. Sci. China Inf. Sci. 66, 122404 (2023). https://doi.org/10.1007/s11432-022-3465-2

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  • DOI: https://doi.org/10.1007/s11432-022-3465-2

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