Dynamic-to-static switch of hydrogen bonds induces a metal–insulator transition in an organic–inorganic superlattice

Xie, Zhenkai; Luo, Rui; Ying, Tianping; Gao, Yurui; Song, Boqin; Yu, Tongxu; Chen, Xu; Hao, Munan; Chai, Congcong; Yan, Jiashu; Huang, Zhiheng; Chen, Zhiguo; Du, Luojun; Zhu, Chongqin; Guo, Jiangang; Chen, Xiaolong

doi:10.1038/s41557-024-01566-1

Nat. Chem.

2024

DOI: 10.1038/s41557-024-01566-1

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Dynamic-to-static switch of hydrogen bonds induces a metal–insulator transition in an organic–inorganic superlattice

Zhenkai Xie,

Rui Luo,

Tianping Ying

et al.

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Cited by 2 publications

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Ultrafast Charge Transfer in Lithium-Ion and Water-Intercalated MoS₂/WS₂ Heterostructures

Wang,

Wu,

Yang

et al. 2024

Nano Lett.

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Heterostructures of monolayer transition metal dichalcogenides such as MoS 2 and WS 2 are promising for applications in optoelectronics and photocatalysis. However, the strong interlayer coupling in MoS 2 /WS 2 heterostructures results in indirect bandgaps that significantly hinder their performance and efficiency in practical applications. Here, we use first-principles calculations to demonstrate an effective method to weaken interlayer coupling in MoS 2 /WS 2 heterostructures by intercalating lithium ions with water molecules. This approach results in a direct bandgap while maintaining the type-II band alignment. Interestingly, the charge transfer process in the intercalated MoS 2 /WS 2 heterostructures is greatly accelerated, which is attributed to the enhanced nonadiabatic coupling between different energy states and the inversion of the effective electric field within the heterostructures. Our results provide a strategy for achieving ultrafast charge transfer in MoS 2 /WS 2 heterostructures via intercalation and offer insight into modulation of other van der Waals materials for enhanced performance.

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Ultrafast Charge Transfer in Lithium-Ion and Water-Intercalated MoS₂/WS₂ Heterostructures

Wang,

Wu,

Yang

et al. 2024

Nano Lett.

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The Jekyll-and-Hyde electron transfer chemistry of hydrogen bonds

Dahl,

Malvankar

2024

Nat. Chem.

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Dynamic-to-static switch of hydrogen bonds induces a metal–insulator transition in an organic–inorganic superlattice

Cited by 2 publications

References 52 publications

Ultrafast Charge Transfer in Lithium-Ion and Water-Intercalated MoS₂/WS₂ Heterostructures

Ultrafast Charge Transfer in Lithium-Ion and Water-Intercalated MoS₂/WS₂ Heterostructures

The Jekyll-and-Hyde electron transfer chemistry of hydrogen bonds

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Dynamic-to-static switch of hydrogen bonds induces a metal–insulator transition in an organic–inorganic superlattice

Cited by 2 publications

References 52 publications

Ultrafast Charge Transfer in Lithium-Ion and Water-Intercalated MoS2/WS2 Heterostructures

Ultrafast Charge Transfer in Lithium-Ion and Water-Intercalated MoS2/WS2 Heterostructures

The Jekyll-and-Hyde electron transfer chemistry of hydrogen bonds

Contact Info

Product

Resources

About

Ultrafast Charge Transfer in Lithium-Ion and Water-Intercalated MoS₂/WS₂ Heterostructures

Ultrafast Charge Transfer in Lithium-Ion and Water-Intercalated MoS₂/WS₂ Heterostructures