Charge self-regulation in 1T'''-MoS2 structure with rich S vacancies for enhanced hydrogen evolution activity

Xiaowei Guo; Erhong Song; Wei Zhao; Shumao Xu; Wenli zhao; Yongjiu Lei; Yuqiang Fang; Jianjun Liu; Fuqiang Huang

doi:10.1038/s41467-022-33636-8

Charge self-regulation in 1T'''-MoS2 structure with rich S vacancies for enhanced hydrogen evolution activity

Xiaowei Guo, Erhong Song, Wei Zhao, Shumao Xu, Wenli zhao, Yongjiu Lei, Yuqiang Fang, Jianjun Liu, Fuqiang Huang

Research output: Contribution to journal › Article › peer-review

Abstract

Active electronic states in transition metal dichalcogenides are able to prompt hydrogen evolution by improving hydrogen absorption. However, the development of thermodynamically stable hexagonal 2H-MoS2 as hydrogen evolution catalyst is likely to be shadowed by its limited active electronic state. Herein, the charge self-regulation effect mediated by tuning Mo−Mo bonds and S vacancies is revealed in metastable trigonal MoS2 (1T'''-MoS2) structure, which is favarable for the generation of active electronic states to boost the hydrogen evolution reaction activity. The optimal 1T'''-MoS2 sample exhibits a low overpotential of 158 mV at 10 mA cm−2 and a Tafel slope of 74.5 mV dec−1 in acidic conditions, which are far exceeding the 2H-MoS2 counterpart (369 mV and 137 mV dec−1). Theoretical modeling indicates that the boosted performance is attributed to the formation of massive active electronic states induced by the charge self-regulation effect of Mo−Mo bonds in defective 1T'''-MoS2 with rich S vacancies.

Original language	English (US)
Journal	Nature communications
Volume	13
Issue number	1
DOIs	https://doi.org/10.1038/s41467-022-33636-8
State	Published - Oct 10 2022

Bibliographical note

KAUST Repository Item: Exported on 2022-10-13
Acknowledgements: This study was supported by the National Natural Science Foundation of China (Grant No. 21871008, 21801247, 21872166, 21973107 and 51702345), the Science and Technology Commission of Shanghai Municipality (21ZR1473300, 21ZR1472900, 22ZR1471600) and the Key Research Program of Frontier Science, Chinese Academy of Sciences (Grant No. QYZDJ-SSW-JSC013).

ASJC Scopus subject areas

Biochemistry, Genetics and Molecular Biology(all)
Chemistry(all)
Physics and Astronomy(all)

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https://repository.kaust.edu.sa/bitstream/10754/682457/1/s41467-022-33636-8.pdf

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@article{043c046e709c4cd1a8364f7c7aa14581,

title = "Charge self-regulation in 1T'''-MoS2 structure with rich S vacancies for enhanced hydrogen evolution activity",

abstract = "Active electronic states in transition metal dichalcogenides are able to prompt hydrogen evolution by improving hydrogen absorption. However, the development of thermodynamically stable hexagonal 2H-MoS2 as hydrogen evolution catalyst is likely to be shadowed by its limited active electronic state. Herein, the charge self-regulation effect mediated by tuning Mo−Mo bonds and S vacancies is revealed in metastable trigonal MoS2 (1T'''-MoS2) structure, which is favarable for the generation of active electronic states to boost the hydrogen evolution reaction activity. The optimal 1T'''-MoS2 sample exhibits a low overpotential of 158 mV at 10 mA cm−2 and a Tafel slope of 74.5 mV dec−1 in acidic conditions, which are far exceeding the 2H-MoS2 counterpart (369 mV and 137 mV dec−1). Theoretical modeling indicates that the boosted performance is attributed to the formation of massive active electronic states induced by the charge self-regulation effect of Mo−Mo bonds in defective 1T'''-MoS2 with rich S vacancies.",

author = "Xiaowei Guo and Erhong Song and Wei Zhao and Shumao Xu and Wenli zhao and Yongjiu Lei and Yuqiang Fang and Jianjun Liu and Fuqiang Huang",

note = "KAUST Repository Item: Exported on 2022-10-13 Acknowledgements: This study was supported by the National Natural Science Foundation of China (Grant No. 21871008, 21801247, 21872166, 21973107 and 51702345), the Science and Technology Commission of Shanghai Municipality (21ZR1473300, 21ZR1472900, 22ZR1471600) and the Key Research Program of Frontier Science, Chinese Academy of Sciences (Grant No. QYZDJ-SSW-JSC013).",

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day = "10",

doi = "10.1038/s41467-022-33636-8",

language = "English (US)",

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T1 - Charge self-regulation in 1T'''-MoS2 structure with rich S vacancies for enhanced hydrogen evolution activity

AU - Guo, Xiaowei

AU - Song, Erhong

AU - Zhao, Wei

AU - Xu, Shumao

AU - zhao, Wenli

AU - Lei, Yongjiu

AU - Fang, Yuqiang

AU - Liu, Jianjun

AU - Huang, Fuqiang

N1 - KAUST Repository Item: Exported on 2022-10-13 Acknowledgements: This study was supported by the National Natural Science Foundation of China (Grant No. 21871008, 21801247, 21872166, 21973107 and 51702345), the Science and Technology Commission of Shanghai Municipality (21ZR1473300, 21ZR1472900, 22ZR1471600) and the Key Research Program of Frontier Science, Chinese Academy of Sciences (Grant No. QYZDJ-SSW-JSC013).

PY - 2022/10/10

Y1 - 2022/10/10

N2 - Active electronic states in transition metal dichalcogenides are able to prompt hydrogen evolution by improving hydrogen absorption. However, the development of thermodynamically stable hexagonal 2H-MoS2 as hydrogen evolution catalyst is likely to be shadowed by its limited active electronic state. Herein, the charge self-regulation effect mediated by tuning Mo−Mo bonds and S vacancies is revealed in metastable trigonal MoS2 (1T'''-MoS2) structure, which is favarable for the generation of active electronic states to boost the hydrogen evolution reaction activity. The optimal 1T'''-MoS2 sample exhibits a low overpotential of 158 mV at 10 mA cm−2 and a Tafel slope of 74.5 mV dec−1 in acidic conditions, which are far exceeding the 2H-MoS2 counterpart (369 mV and 137 mV dec−1). Theoretical modeling indicates that the boosted performance is attributed to the formation of massive active electronic states induced by the charge self-regulation effect of Mo−Mo bonds in defective 1T'''-MoS2 with rich S vacancies.

AB - Active electronic states in transition metal dichalcogenides are able to prompt hydrogen evolution by improving hydrogen absorption. However, the development of thermodynamically stable hexagonal 2H-MoS2 as hydrogen evolution catalyst is likely to be shadowed by its limited active electronic state. Herein, the charge self-regulation effect mediated by tuning Mo−Mo bonds and S vacancies is revealed in metastable trigonal MoS2 (1T'''-MoS2) structure, which is favarable for the generation of active electronic states to boost the hydrogen evolution reaction activity. The optimal 1T'''-MoS2 sample exhibits a low overpotential of 158 mV at 10 mA cm−2 and a Tafel slope of 74.5 mV dec−1 in acidic conditions, which are far exceeding the 2H-MoS2 counterpart (369 mV and 137 mV dec−1). Theoretical modeling indicates that the boosted performance is attributed to the formation of massive active electronic states induced by the charge self-regulation effect of Mo−Mo bonds in defective 1T'''-MoS2 with rich S vacancies.

UR - http://hdl.handle.net/10754/682457

UR - https://www.nature.com/articles/s41467-022-33636-8

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DO - 10.1038/s41467-022-33636-8

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C2 - 36216954

VL - 13

JO - Nature communications

JF - Nature communications

SN - 2041-1723

IS - 1

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Charge self-regulation in 1T'''-MoS2 structure with rich S vacancies for enhanced hydrogen evolution activity

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