Figures Set 1 and Set 2
Year: 2026
Type: article
Abstract: Figure SET 1: Has data for the following figures described in the main text and Supplementary Information:From main text: Fig 3, 4, 5a, 6, 7a, 8a and b, 9a, 10, 11, 12 a and b, 13. From Supplementary Information: Fig. S2, S3, S4, S5, S6, S7. S8, S9, S10, S11, S12.Figures SET 2: Has data for the following figures described in the main text and Supplementary Information:From main text: Fig. 1, 7 band c, 9 b, c, and d, 14 and 15.From Supplementary Information: Fig. S1, S14, S15, S16, and S17These data belong to the Figures and information in the manuscript:Electric Field-Driven Ionic Transport: Effects on SEI and Near-Surface Structural and Chemical Evolution in Lithium Metal BatteriesHenrique D. Minami1, Francisco A. Ospina Acevedo1, Jorge M. Seminario1,2,3,* and Perla B Balbuena,1,3,4,*1Department of Chemical Engineering, Texas A&M University, College Station, TX 77843, USA2Department of Electrical and Computer Engineering, Texas A&M University, College Station, TX 77843, USA3Department of Materials Science and Engineering, Texas A&M University, College Station, TX 77843, USA4Department of Chemistry, Texas A&M University, College Station, TX 77843, USAAbstractLithium metal batteries promise of exceptional energy density is hindered by unstable solid electrolyte interphases (SEI), which are highly sensitive to electrolyte composition and operating current. While weakly solvating electrolytes and localized high-concentration electrolytes (LHCE) have demonstrated the ability to stabilize the SEI, the influence of electric fields on ionic transport and its consequences on SEI and near-surface structural and chemical evolution remain largely unresolved. We integrate Hybrid Ab Initio Reactive (HAIR) atomistic simulations for generating realistic SEI structures with a novel Ionic-Current–Electric-Field (ICEF) framework to predict electric field-dependent ion transport using ReaxFF molecular dynamics. We apply this approach to two ether-based LHCE electrolytes, with chemistry differing only by addition of a small amount of a weak solvent to one of them, showing marked differences in solvation structures, SEI structure and morphologies. Our simulations reveal that elevated applied fields destabilize some SEI components and stabilize others, forming electrolyte-specific aggregate species in the near-surface layer, and inducing asymmetric Li⁺ desolvation, potentially affecting lithium deposition morphology and Coulombic efficiency. These findings demonstrate SEI and near-surface layer composition and stability dependence on applied electric fields, underscoring the importance of electric-field driven ion transport as a critical design parameter. This framework offers a pathway for rational electrolyte engineering aimed at achieving stable, high-rate lithium metal batteries.
Source: Figshare
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7212442601
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