Enhanced Ion/Electron Migration and Sodium Storage Driven by Different MoS2-ZnIn2S4 Heterointerfaces

Jingyun Cheng; Zhulin Niu; Zhipeng Zhao; Xiangdong Pei; Shuo Zhang; Hongqiang Wang; Dan Li; Zaiping Guo

doi:10.1002/aenm.202203248

Enhanced Ion/Electron Migration and Sodium Storage Driven by Different MoS₂-ZnIn₂S₄ Heterointerfaces

Jingyun Cheng (Co-first Author), Zhulin Niu (Co-first Author), Zhipeng Zhao, Xiangdong Pei, Shuo Zhang, Hongqiang Wang, Dan Li^*, Zaiping Guo^*

^*Corresponding author for this work

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

131 Citations (Scopus)

Abstract

Constructing hierarchical structures with heterointerfaces is an effective approach for developing high-efficiency energy-storage anodes for sodium-ion batteries. In this study, MoS₂@ZnIn₂S₄ nanorods are designed and fabricated for structural improvement. Theoretical calculations reveal that there are two different MoS₂-ZnIn₂S₄ heterointerfaces formed by MoS₂ with the Zn and In facets of ZnIn₂S₄, which generate directional built-in electric fields that provide additional driving forces for facilitating electron transfer. These two heterojunction interfaces, especially the MoS₂-In facet, exhibit enhanced Na⁺ adsorption energies and reduce Na⁺ diffusion energy barriers. The multistep reactions of MoS₂ and ZnIn₂S₄ reveal a synergistic effect that promotes the entire electrochemical process. Furthermore, the synthesized hierarchical nanorods composed of nanosheets offer abundant Na⁺-storage sites and multidirectional migration pathways and, importantly, accommodate the excessive volume change. Benefiting from the heterointerfaces and hierarchical structure, the composite electrode exhibits excellent electrochemical performance, with high reaction activity and rapid electron/ion diffusion kinetics. © 2022 The Authors. Advanced Energy Materials published by Wiley-VCH GmbH.

Original language	English
Article number	2203248
Journal	Advanced Energy Materials
Volume	13
Issue number	5
Online published	16 Dec 2022
DOIs	https://doi.org/10.1002/aenm.202203248
Publication status	Published - 3 Feb 2023
Externally published	Yes

Funding

J.C. and Z.N. contributed equally to this work. The National Natural Science Foundation of China (grant No. 21701144), Natural Science Foundation of Henan Province (grant No. 222300420083), the Opening Foundation of the State Key Laboratory of Chemistry and Utilization of Carbon-based Energy Resource of Xinjiang University (grant No. KFKT2021004), and Taishan Scholar Foundation of Shandong Province are gratefully acknowledged. The computational work was carried out at the National Supercomputing Center in Zhengzhou and the Shanxi Supercomputing Center. Open access publishing facilitated by The University of Adelaide, as part of the Wiley - The University of Adelaide agreement via the Council of Australian University Librarians.

Research Keywords

DFT calculations
heterointerfaces
MoS2, ZnIn2S4
sodium-ion batteries

Publisher's Copyright Statement

This full text is made available under CC-BY-NC 4.0. https://creativecommons.org/licenses/by-nc/4.0/

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title = "Enhanced Ion/Electron Migration and Sodium Storage Driven by Different MoS2-ZnIn2S4 Heterointerfaces",

abstract = "Constructing hierarchical structures with heterointerfaces is an effective approach for developing high-efficiency energy-storage anodes for sodium-ion batteries. In this study, MoS2@ZnIn2S4 nanorods are designed and fabricated for structural improvement. Theoretical calculations reveal that there are two different MoS2-ZnIn2S4 heterointerfaces formed by MoS2 with the Zn and In facets of ZnIn2S4, which generate directional built-in electric fields that provide additional driving forces for facilitating electron transfer. These two heterojunction interfaces, especially the MoS2-In facet, exhibit enhanced Na+ adsorption energies and reduce Na+ diffusion energy barriers. The multistep reactions of MoS2 and ZnIn2S4 reveal a synergistic effect that promotes the entire electrochemical process. Furthermore, the synthesized hierarchical nanorods composed of nanosheets offer abundant Na+-storage sites and multidirectional migration pathways and, importantly, accommodate the excessive volume change. Benefiting from the heterointerfaces and hierarchical structure, the composite electrode exhibits excellent electrochemical performance, with high reaction activity and rapid electron/ion diffusion kinetics. {\textcopyright} 2022 The Authors. Advanced Energy Materials published by Wiley-VCH GmbH.",

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T1 - Enhanced Ion/Electron Migration and Sodium Storage Driven by Different MoS2-ZnIn2S4 Heterointerfaces

AU - Cheng, Jingyun

AU - Niu, Zhulin

AU - Zhao, Zhipeng

AU - Pei, Xiangdong

AU - Zhang, Shuo

AU - Wang, Hongqiang

AU - Li, Dan

AU - Guo, Zaiping

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N2 - Constructing hierarchical structures with heterointerfaces is an effective approach for developing high-efficiency energy-storage anodes for sodium-ion batteries. In this study, MoS2@ZnIn2S4 nanorods are designed and fabricated for structural improvement. Theoretical calculations reveal that there are two different MoS2-ZnIn2S4 heterointerfaces formed by MoS2 with the Zn and In facets of ZnIn2S4, which generate directional built-in electric fields that provide additional driving forces for facilitating electron transfer. These two heterojunction interfaces, especially the MoS2-In facet, exhibit enhanced Na+ adsorption energies and reduce Na+ diffusion energy barriers. The multistep reactions of MoS2 and ZnIn2S4 reveal a synergistic effect that promotes the entire electrochemical process. Furthermore, the synthesized hierarchical nanorods composed of nanosheets offer abundant Na+-storage sites and multidirectional migration pathways and, importantly, accommodate the excessive volume change. Benefiting from the heterointerfaces and hierarchical structure, the composite electrode exhibits excellent electrochemical performance, with high reaction activity and rapid electron/ion diffusion kinetics. © 2022 The Authors. Advanced Energy Materials published by Wiley-VCH GmbH.

AB - Constructing hierarchical structures with heterointerfaces is an effective approach for developing high-efficiency energy-storage anodes for sodium-ion batteries. In this study, MoS2@ZnIn2S4 nanorods are designed and fabricated for structural improvement. Theoretical calculations reveal that there are two different MoS2-ZnIn2S4 heterointerfaces formed by MoS2 with the Zn and In facets of ZnIn2S4, which generate directional built-in electric fields that provide additional driving forces for facilitating electron transfer. These two heterojunction interfaces, especially the MoS2-In facet, exhibit enhanced Na+ adsorption energies and reduce Na+ diffusion energy barriers. The multistep reactions of MoS2 and ZnIn2S4 reveal a synergistic effect that promotes the entire electrochemical process. Furthermore, the synthesized hierarchical nanorods composed of nanosheets offer abundant Na+-storage sites and multidirectional migration pathways and, importantly, accommodate the excessive volume change. Benefiting from the heterointerfaces and hierarchical structure, the composite electrode exhibits excellent electrochemical performance, with high reaction activity and rapid electron/ion diffusion kinetics. © 2022 The Authors. Advanced Energy Materials published by Wiley-VCH GmbH.

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