Harnessing Li‐Ion Binding Energy for Solvation‐Guided Electrolyte Additive Design and Robust Solid Electrolyte Interphase Reinforcement
9 affiliations
- 1Department of Advanced Materials Science and Engineering Sungkyunkwan University Suwon Republic of Korea
- 2Department of Chemical and Biomolecular Engineering Institute of Emergent Materials Sogang University Seoul Republic of Korea
- 3Advanced Batteries Research Center Korea Electronics Technology Institute Seongnam Republic of Korea
- 4KU‐KIST Graduate School of Converging Science and Technology Korea University Seoul Republic of Korea
- 5Department of Integrated Energy Engineering Korea University Seoul Republic of Korea
- 6Institute for Multiscale Matter and Systems (IMMS) Ewha Womans University Seoul Republic of Korea
- 7Department of Energy Sungkyunkwan University Suwon Republic of Korea
- 8Department of Future Energy Engineering Sungkyunkwan University Suwon Republic of Korea
- 9Department of Battery Science and Engineering Sungkyunkwan University Suwon Republic of Korea
Abstract
The rational design of electrolyte systems is essential for stabilizing the electrode−electrolyte interface to enhance the electrochemical performance of lithium‐ion batteries (LIBs). Although conventional strategies focus on the introduction of specific functional moieties, the correlation between the molecular structure of an electrolyte additive and the extent of effective localized enrichment at the interface remains poorly understood. Herein, we propose a solvation‐guided additive design strategy in which the Li‐ion binding energy of the additive serves as a factor for effective solid electrolyte interphase (SEI) reinforcement. This hypothesis is validated by employing a σ‐bonding‐insulation‐based model system, which contains allyl methyl sulfone (AMS), allyl methyl carbonate (AMC), and allyl methyl ether (AME) as electrolyte additives with varying Li‐ion binding affinities. Computational simulations and spectroscopic analyses confirmed that AMS, which has the highest binding energy, preferentially participates in the Li‐ion solvation shell. This affinity, which facilitates the spontaneous migration of the additive toward the negative electrode during the SEI formation step, results in the development of a robust SEI layer concentrated at the negative electrode. These findings highlight the importance of interactions between Li‐ions and additives in interface engineering and provide a systematic framework for the development of high‐performance electrolyte additives.
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BibTeX
@article{byun2026harnessing,
title = {{Harnessing Li‐Ion Binding Energy for Solvation‐Guided Electrolyte Additive Design and Robust Solid Electrolyte Interphase Reinforcement}},
author = {Jooeun Byun and Ho Yeon Jang and Myung‐Jun Kwak and Chae Rim Lee and Chihyun Hwang and Seoin Back and Hyun‐seung Kim},
journal = {Advanced Science},
year = {2026},
month = aug,
doi = {10.1002/advs.77072},
url = {https://doi.org/10.1002/advs.77072},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Harnessing Li‐Ion Binding Energy for Solvation‐Guided Electrolyte Additive Design and Robust Solid Electrolyte Interphase Reinforcement
AU - Jooeun Byun
AU - Ho Yeon Jang
AU - Myung‐Jun Kwak
AU - Chae Rim Lee
AU - Chihyun Hwang
AU - Seoin Back
AU - Hyun‐seung Kim
PY - 2026
DA - 2026/08/10
JO - Advanced Science
DO - 10.1002/advs.77072
UR - https://doi.org/10.1002/advs.77072
AB - The rational design of electrolyte systems is essential for stabilizing the electrode−electrolyte interface to enhance the electrochemical performance of lithium‐ion batteries (LIBs). Although conventional strategies focus on the introduction of specific functional moieties, the correlation between the molecular structure of an electrolyte additive and the extent of effective localized enrichment at the interface remains poorly understood. Herein, we propose a solvation‐guided additive design strategy in which the Li‐ion binding energy of the additive serves as a factor for effective solid electrolyte interphase (SEI) reinforcement. This hypothesis is validated by employing a σ‐bonding‐insulation‐based model system, which contains allyl methyl sulfone (AMS), allyl methyl carbonate (AMC), and allyl methyl ether (AME) as electrolyte additives with varying Li‐ion binding affinities. Computational simulations and spectroscopic analyses confirmed that AMS, which has the highest binding energy, preferentially participates in the Li‐ion solvation shell. This affinity, which facilitates the spontaneous migration of the additive toward the negative electrode during the SEI formation step, results in the development of a robust SEI layer concentrated at the negative electrode. These findings highlight the importance of interactions between Li‐ions and additives in interface engineering and provide a systematic framework for the development of high‐performance electrolyte additives.
SN - 2198-3844
ER -