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Research Article

Work-function effect of Ti3C2/Fe-N-C inducing solid electrolyte interphase evolution for ultra-stable sodium storage

Huicong Xia1,5, Lingxing Zan3, Hongliang Dong4, Yifan Wei1, Yue Yu1, Jinfu Shu4, Jia-Nan Zhang1( ), Chong-Xin Shan2
Key Laboratory of Advanced Energy Catalytic and Functional Material Preparation of Zhengzhou, College of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001, China
Key Laboratory of Materials Physics of Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450001, China
Key Laboratory of Chemical Reaction Engineering of Shaanxi Province, College of Chemistry and Chemical Engineering, Yan’an University, Yan’an 716000, China
Center for High Pressure Science and Technology Advanced Research, Pudong, Shanghai 201203, China
Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Nankai University, Tianjin 300071, China
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Graphical Abstract

The Ti3C2/Fe-N-C electrode enhances the kinetics of solid electrolyte interphase (SEI) formation in sodium-ion batteries (SIBs) through selective anion adsorption and the reduced formation energy of SEI to 0.81 eV. This intelligent design, exploiting work-function differences and electronic interactions, significantly reduces the activation energy and increases the reversible capacity.

Abstract

In the quest to enhance the efficiency of sodium-ion batteries, the dynamics of solid electrolyte interphase (SEI) formation are of paramount importance. The SEI layer’s integrity is integral to the charge–discharge efficiency and the overall longevity of the battery. Herein, a novel two-dimensional Ti3C2 fragments enmeshed on iron-nitrogen-carbon (Fe-N-C) nanosheets (Ti3C2/Fe-N-C) has been synthesized. This electrode features a matrix which has been shown to expedite SEI layer formation through the facilitation of selective anion adsorption, thus augmenting battery performance. Density functional theory calculation reveals that the SEI evolution energy of NaPF6 at the Ti3C2/Fe-N-C interface is 0.81 eV, significantly lower than the Ti3C2 (1.23 eV). This process is driven by the electron transportation from Ti3C2 to Fe-N-C substrate, facilitated by their work-function difference, leading to the formation of ferromagnetic Fe species, which possesses Fe 3d dxzdyz dz2 orbitals and undergoes hybridization with the π and σ orbitals of NaF, creating a key intermediate during charging. This process diminishes the antibonding energy and attenuates the orbital interaction with NaF, thus reducing the activation energy and improving the SEI formation reaction kinetics. Consequently, it leads to the creation of multi-interface SEI characterized by high-throughput ion transport and an efficient reaction network.

Keywords

Ti3C2/Fe-N-C heterostructurework-functionelectron interactionsolid electrolyte interphasesodium storage

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Nano Research
Volume 17 Issue 8,
August 2024
Pages 7163-7173
DOI: 10.1007/s12274-024-6693-3
Cite this article:
Xia H, Zan L, Dong H, et al. Work-function effect of Ti3C2/Fe-N-C inducing solid electrolyte interphase evolution for ultra-stable sodium storage. Nano Research, 2024, 17(8): 7163-7173. https://doi.org/10.1007/s12274-024-6693-3
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Received: 06 March 2024
Revised: 06 April 2024
Accepted: 08 April 2024
Published: 02 May 2024
© Tsinghua University Press 2024
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