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Journal articles on the topic 'Polymer Electrolytes - Ion Dynamics'

Author: Grafiati

Published: 7 September 2023

Last updated: 31 July 2025

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1

Mabuchi, Takuya, Koki Nakajima, and Takashi Tokumasu. "Molecular Dynamics Study of Ion Transport in Polymer Electrolytes of All-Solid-State Li-Ion Batteries." Micromachines 12, no. 9 (2021): 1012. http://dx.doi.org/10.3390/mi12091012.

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Atomistic analysis of the ion transport in polymer electrolytes for all-solid-state Li-ion batteries was performed using molecular dynamics simulations to investigate the relationship between Li-ion transport and polymer morphology. Polyethylene oxide (PEO) and poly(diethylene oxide-alt-oxymethylene), P(2EO-MO), were used as the electrolyte materials, and the effects of salt concentrations and polymer types on the ion transport properties were explored. The size and number of LiTFSI clusters were found to increase with increasing salt concentrations, leading to a decrease in ion diffusivity at

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2

Kim, Dokyung, So Jung Seo, Ji-Hun Seo, and Young Joo Lee. "Exploring the Relationship between Ion Diffusion and Molecular Structure of Gel Polymer Electrolytes Using NMR Spectroscopy." ECS Meeting Abstracts MA2024-02, no. 7 (2024): 964. https://doi.org/10.1149/ma2024-027964mtgabs.

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Lithium rechargeable batteries are widely used as energy sources for portable electronic devices, automobile, and wearable electronics. However, concerns regarding fire hazards have prompted efforts to transition from liquid to solid electrolytes. Gel polymer electrolytes (GPEs) have emerged as promising alternatives for enhancing the safety of lithium batteries. The ion conduction mechanism in GPEs can be conceptualized in two distinct modes: a liquid-like mechanism and a solid-like mechanism. We focus on the investigation of the liquid-like mechanism, which relies on polymer segmental motion

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3

Zhang, Chao. "(Invited) Understanding Ion-Ion Correlations: From Liquid Electrolytes to Polymer Electrolytes." ECS Meeting Abstracts MA2023-01, no. 45 (2023): 2455. http://dx.doi.org/10.1149/ma2023-01452455mtgabs.

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Mass transport in electrolytes is one of the most important design focuses of electrochemical devices such as batteries, fuel cells, and supercapacitors. Compared to the infinitely dilute solution, ion-ion correlations play a central role in determining the structure-property relationships in the concentrated solution. Therefore, disentangling ion-ion correlations and establishing their impact on transport coefficients is a fundamental and pressing issue in the field of electrolyte materials. In this talk, I will present the recent works of my group and collaborators on using molecular dynamic

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4

Chen, Xi. "(Invited) Ion Transport and Interface Resistance in Polymer-Based Composite Electrolytes and Composite Cathode." ECS Meeting Abstracts MA2023-01, no. 6 (2023): 983. http://dx.doi.org/10.1149/ma2023-016983mtgabs.

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Solid-state electrolytes are promising to enable the next generation batteries with higher energy density and improved safety. However, each major class of solid electrolytes has intrinsic weaknesses. By combining different classes of solid electrolytes, such as a polymer electrolyte and an oxide ceramic electrolyte, one can potentially overcome the intrinsic weaknesses of each component and develop a composite electrolyte to achieve high ionic conductivity, good mechanical properties, good chemical stability, and adhesion with the electrodes. In this presentation, we show that the interfacial

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Chae, Somin, and Sangheon Lee. "Theoretical Study on the Dynamics of Lithium-Ion Transport in PPS-Based Polymer Electrolytes." ECS Meeting Abstracts MA2024-01, no. 2 (2024): 465. http://dx.doi.org/10.1149/ma2024-012465mtgabs.

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The development of solid-state lithium-ion batteries (LIBs) is a key advancement in energy storage technology. Solid electrolytes are important in this development because they are safer and more stable than liquid electrolytes, and they have higher energy density. Among the various types of solid electrolytes, Polyphenylene Sulfide (PPS)-based solid-state polymer electrolytes (SPEs) are notable for their ability to conduct ions as well as liquid electrolytes across a wide range of temperatures. This ability is particularly important because other solid polymer electrolytes, like those based o

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6

Kondou, Shinji, Mohanad Abdullah, Ivan Popov, et al. "Poly(Ionic Liquid)-in-Salt Electrolytes: Unlocking the Potential of Extreme Salt Concentrations for Enhanced Battery Performance." ECS Meeting Abstracts MA2025-01, no. 3 (2025): 397. https://doi.org/10.1149/ma2025-013397mtgabs.

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Polymer-in-salt electrolytes (PISEs) were introduced three decades ago as a potential solution to the inherently low Li-ion conductivity in solvent-free solid polymer electrolytes.1 Despite significant progress, this approach still faces considerable challenges, ranging from a fundamental understanding to the development of suitable polymers and salts. A critical issue is maintaining both the stability and high conductivity of molten salts within a polymer matrix, which has constrained their further exploration. In this study,2 we propose a promising solution by integrating cationic poly(ionic

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7

Kagawa, Yuta, Masaya Miyagawa, and Hiromitsu Takaba. "Important Structural Features to Enhance Na-Ionic Conductivity in Single-Ion-Conducting Polymer Electrolytes." ECS Meeting Abstracts MA2024-02, no. 3 (2024): 349. https://doi.org/10.1149/ma2024-023349mtgabs.

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Polymeric solid electrolytes (SPEs) have excellent properties such as high safety and long life and are expected to be put to practical use as next-generation all-solid-state lithium secondary battery electrolyte. Single ion-conducting polymer electrolytes (SICPEs) are one of SPEs and have a structure in which the anion is covalently bonded to the polymer. They therefore have the advantage of high cation transference number, and a long lifetime because ionic polarization is less likely to occur. However, as the ionic conductivity is comparable to that of conventional SPE, it is necessary to cl

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8

Kumar, Asheesh, Raghunandan Sharma, M. Suresh, Malay K. Das, and Kamal K. Kar. "Structural and ion transport properties of lithium triflate/poly(vinylidene fluoride-co-hexafluoropropylene)-based polymer electrolytes." Journal of Elastomers & Plastics 49, no. 6 (2016): 513–26. http://dx.doi.org/10.1177/0095244316676512.

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Polymer electrolytes consisting of poly(vinylidene fluoride-co-hexafluoropropylene) in combination with lithium triflate (LiCF3SO3) salt of varying concentration have been prepared using the conventional solution casting technique in the argon atmosphere. Structural electrical characterizations of the synthesized electrolytes have been performed using various imaging and spectroscopic techniques. The DC conductivities determined by complex impedance plots reveal gradual increase with increase in salt concentration up to a particular limit and decrease subsequently. The maximum DC conductivity

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9

Choi, U. Hyeok, Ji Hyang Je, Seon Min Park, Puji Lestari Handayani, Dawoon Lee, and Jaekyun Kim. "(Invited) Tailoring Molecular Interaction in Solid-State Polymer Electrolytes for High-Performance Supercapacitors." ECS Meeting Abstracts MA2024-02, no. 6 (2024): 753. https://doi.org/10.1149/ma2024-026753mtgabs.

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In the development of the next-generation safe solid-state supercapacitors with high energy density, durability, and flexibility, the synthesis of high ion-conducting solid-state electrolytes with electrochemical and mechanical stabilities is a great challenge. Solid-state polymer electrolytes (SSPEs) are of great interest as materials in energy storage devices because ion-conducting SSPEs enable good adherence to electrodes and excellent processability for being made into a thin film. The key challenge facing the SSPE development for all-solid-state supercapacitors is to achieve high mechanic

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10

Lee, Young Joo, Dokyung KIM, Yoonju Shin, et al. "Conduction Mechanism Study of Argyrodite-Type and Polymer-Ceramic Composite Electrolyte By Solid-State and PFG NMR Spectroscopy." ECS Meeting Abstracts MA2024-02, no. 4 (2024): 416. https://doi.org/10.1149/ma2024-024416mtgabs.

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Solid-state electrolytes including inorganic ceramics, polymer, and composite polymer electrolytes have been intensively investigated as a key component for next-generation rechargeable batteries due to their low risk of fire and high energy density. Several criteria are required such as high ionic conductivity, electrochemical stability, compatibility and ductility with electrodes, and processability. Our focus relies on understanding the effect of the structural changes on the ion transport properties of various solid electrolytes by utilizing solid-state NMR and PFG NMR spectroscopy. Among

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Yusof, S. Z., H. J. Woo, and A. K. Arof. "Ion dynamics in methylcellulose–LiBOB solid polymer electrolytes." Ionics 22, no. 11 (2016): 2113–21. http://dx.doi.org/10.1007/s11581-016-1733-y.

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12

Peters, Brandon L., Zhou Yu, Paul C. Redfern, Larry A. Curtiss, and Lei Cheng. "Effects of Salt Aggregation in Perfluoroether Electrolytes." Journal of The Electrochemical Society 169, no. 2 (2022): 020506. http://dx.doi.org/10.1149/1945-7111/ac4c7a.

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Electrolytes comprised of polymers mixed with salts have great potential for enabling the use of Li metal anodes in batteries for increased safety. Ionic conductivity is one of the key performance metrics of these polymer electrolytes and achieving high room-temperature conductivity remains a challenge to date. For a bottom-up design of the polymer electrolytes, we must first understand how the structure of polyelectrolytes on a molecular level determines their properties. Here, we use classical molecular dynamics to study the solvation structure and ion diffusion in electrolytes composed of a

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13

Garaga, Mounesha N., Sahana Bhattacharyya, and Steve G. Greenbaum. "Achieving Enhanced Mobility of Ions in Ionic Liquid-Based Gel Polymer Electrolytes By Incorporating Inorganic Nanofibers for Li-Ion Battery." ECS Meeting Abstracts MA2022-02, no. 2 (2022): 160. http://dx.doi.org/10.1149/ma2022-022160mtgabs.

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Polymer electrolytes have received much attention in Li-ion battery research because of their unique properties, such as, high ionic conductivity, high mechanical strength including good electrode-electrolyte contact. A major research has been focused on improving the conductivity while retaining the mechanical stability of polymer electrolytes. In this context, ionic liquid-based gel polymer electrolytes are an excellent candidate. A detailed NMR investigation of PMMA-ILs gels electrolytes probing the structure and dynamics of ions was recently reported.[1] The presence of ILs in polymer matr

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14

Dennis, John Ojur, Abdullahi Abbas Adam, M. K. M. Ali, et al. "Substantial Proton Ion Conduction in Methylcellulose/Pectin/Ammonium Chloride Based Solid Nanocomposite Polymer Electrolytes: Effect of ZnO Nanofiller." Membranes 12, no. 7 (2022): 706. http://dx.doi.org/10.3390/membranes12070706.

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In this research, nanocomposite solid polymer electrolytes (NCSPEs) comprising methylcellulose/pectin (MC/PC) blend as host polymer, ammonium chloride (NH4Cl) as an ion source, and zinc oxide nanoparticles (ZnO NPs) as nanofillers were synthesized via a solution cast methodology. Techniques such as Fourier transform infrared (FTIR), electrical impedance spectroscopy (EIS), and linear sweep voltammetry (LSV) were employed to characterize the electrolyte. FTIR confirmed that the polymers, NH4Cl salt, and ZnO nanofiller interact with one another appreciably. EIS demonstrated the feasibility of ac

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15

Park, Habin, Anthony Engler, Nian Liu, and Paul Kohl. "Dynamic Anion Delocalization of Single-Ion Conducting Polymer Electrolyte for High-Performance of Solid-State Lithium Metal Batteries." ECS Meeting Abstracts MA2022-02, no. 3 (2022): 227. http://dx.doi.org/10.1149/ma2022-023227mtgabs.

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Lithium metal batteries (LMBs) have been considered as next-generation energy storages due to their extremely high theoretical specific capacity (3860 mAh g-1). However, current LMBs, using conventional liquid electrolytes, still could not fulfill the demand of soaring expansion of energy era, such as electrical vehicles, because of their safety issues, originated by uncontrollable electrolytic side reaction on the lithium, resulting unstable solid-electrolyte interphase (SEI) and vicious lithium dendritic growth [1]. Also, carbonate-based liquid electrolytes have an intrinsic flammability, an

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16

George, Sweta Mariam, Debalina Deb, Haijin Zhu, S. Sampath, and Aninda J. Bhattacharyya. "Spectroscopic investigations of solvent assisted Li-ion transport decoupled from polymer in a gel polymer electrolyte." Applied Physics Letters 121, no. 22 (2022): 223903. http://dx.doi.org/10.1063/5.0112647.

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We present here a gel polymer electrolyte, where the Li+-ion transport is completely decoupled from the polymer host solvation and dynamics. A free-standing gel polymer electrolyte with a high volume content (nearly 60%) of xM LiTFSI in G4 (tetraglyme) ( x = 1–7; Li+:G4 = 0.2–1.5) liquid electrolyte confined inside the PAN (polyacrylonitrile)-PEGMEMA [poly (ethylene glycol) methyl ether methacrylate oligomer] based polymer matrix is synthesized using a one-pot free radical polymerization process. For LiTFSI concentrations, x = 1–7 (Li+:G4 = 0.2–1.5), Raman and vibrational spectroscopies reveal

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17

Caradant, Lea, Nina Verdier, Gabrielle Foran, et al. "The Influence of Polar Functional Groups in Hot-Melt Extruded Polymer Blend Electrolytes for Solid-State Lithium Batteries." ECS Meeting Abstracts MA2022-01, no. 2 (2022): 210. http://dx.doi.org/10.1149/ma2022-012210mtgabs.

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Following the COP26 Summit in November 2021, more than hundred countries pledged to reach zero-emission by 2070 at the latest and the major car manufacturers committed to selling only electric vehicles by 2040. Currently, lithium-ion batteries (LIBs) are among the most widely used storage systems because of their high energy and power densities and long lifespan.1 The early LIBs are composed of intercalation electrodes, electronically isolated by an ion-conducting organic liquid electrolyte. However, the use of liquid electrolytes presents some disadvantages – especially in regard to consumer

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18

AL-Hamdani, Nasser, Paula V. Saravia, Javier Luque Di Salvo, Sergio A. Paz, and Giorgio De Luca. "Unravelling Lithium Interactions in Non-Flammable Gel Polymer Electrolytes: A Density Functional Theory and Molecular Dynamics Study." Batteries 11, no. 1 (2025): 27. https://doi.org/10.3390/batteries11010027.

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Lithium metal batteries (LiMBs) have emerged as extremely viable options for next-generation energy storage owing to their elevated energy density and improved theoretical specific capacity relative to traditional lithium batteries. However, safety concerns, such as the flammability of organic liquid electrolytes, have limited their extensive application. In the present study, we utilize molecular dynamics and Density Functional Theory based simulations to investigate the Li interactions in gel polymer electrolytes (GPEs), composed of a 3D cross-linked polymer matrix combined with two differen

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19

Butnicu, Dan, Daniela Ionescu, and Maria Kovaci. "Structure Optimization of Some Single-Ion Conducting Polymer Electrolytes with Increased Conductivity Used in “Beyond Lithium-Ion” Batteries." Polymers 16, no. 3 (2024): 368. http://dx.doi.org/10.3390/polym16030368.

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Simulation techniques implemented with the HFSS program were used for structure optimization from the point of view of increasing the conductivity of the batteries’ electrolytes. Our analysis was focused on reliable “beyond lithium-ion” batteries, using single-ion conducting polymer electrolytes, in a gel variant. Their conductivity can be increased by tuning and correlating the internal parameters of the structure. Materials in the battery system were modeled at the nanoscale with HFSS: electrodes–electrolyte–moving ions. Some new materials reported in the literature were studied, like poly(e

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20

Nti, Frederick, George W. Greene, Haijin Zhu, Patrick C. Howlett, Maria Forsyth, and Xiaoen Wang. "Anion effects on the properties of OIPC/PVDF composites." Materials Advances 2, no. 5 (2021): 1683–94. http://dx.doi.org/10.1039/d0ma00992j.

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21

Caradant, Lea, Nina Verdier, Gabrielle Foran, et al. "The Influence of Polar Functional Groups in Melt-Blended Polymers Used As New Solid Electrolytes for Lithium Batteries." ECS Meeting Abstracts MA2022-02, no. 7 (2022): 2423. http://dx.doi.org/10.1149/ma2022-0272423mtgabs.

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Following the COP26 Summit in November 2021, more than hundred countries pledged to reach zero-emission by 2070 at the latest and the major car manufacturers committed to selling only electric vehicles by 2040. Currently, lithium-ion batteries (LIBs) are among the most widely used storage systems because of their high energy and power densities and long lifespan.1 The early LIBs are composed of intercalation electrodes, electronically isolated by an ion-conducting organic liquid electrolyte. However, the use of liquid electrolytes presents some disadvantages – especially in regard to consumer

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22

Weber, Ryan L., and Mahesh K. Mahanthappa. "Thiol–ene synthesis and characterization of lithium bis(malonato)borate single-ion conducting gel polymer electrolytes." Soft Matter 13, no. 41 (2017): 7633–43. http://dx.doi.org/10.1039/c7sm01738c.

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23

Asha, Aysha Siddika, Benjoe Rey B. Visayas, Maricris L. Mayes, and Caiwei Shen. "Understanding the Effect of Trace Solvent Content on Properties of Polymer Electrolytes through Molecular Dynamics Simulations." ECS Meeting Abstracts MA2023-01, no. 4 (2023): 862. http://dx.doi.org/10.1149/ma2023-014862mtgabs.

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The rapid growth of mobile, portable, wearable and flexible electronics leads to the increasing demand for energy storage devices using solid-state polymer electrolytes (PEs), which outperform liquid electrolytes in terms of safety, mechanical properties, and simplicity of device fabrication and packaging. However, processing PEs will always introduce solvent molecules that greatly affect the ionic conductivity and mechanical properties. For example, PEs prepared through solution-casting methods always have solvent residues. A trace amount of water molecules absorbed from the air is also inevi

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Rushing, Jeramie C., Anit Gurung, and Daniel G. Kuroda. "Relation between microscopic structure and macroscopic properties in polyacrylonitrile-based lithium-ion polymer gel electrolytes." Journal of Chemical Physics 158, no. 14 (2023): 144705. http://dx.doi.org/10.1063/5.0135631.

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Polymer gel electrolytes (PGE) have seen a renewed interest in their development because they have high ionic conductivities but low electrochemical degradation and flammability. PGEs are formed by mixing a liquid lithium-ion electrolyte with a polymer at a sufficiently large concentration to form a gel. PGEs have been extensively studied, but the direct connection between their microscopic structure and macroscopic properties remains controversial. For example, it is still unknown whether the polymer in the PGE acts as an inert, stabilizing scaffold for the electrolyte or it interacts with th

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25

Eriksson, Therese, Harish Gudla, Yumehiro Manabe, et al. "Carbonyl-Containing Solid Polymer Electrolyte Host Materials: Conduction and Coordination in Polyketone, Polyester, and Polycarbonate Systems." Macromolecules 55, no. 24 (2022): 10940–49. https://doi.org/10.1021/acs.macromol.2c01683.

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Research on solid polymer electrolytes (SPEs) is now moving beyond the realm of polyethers that have dominated the field for several decades. A promising alternative group of candidates for SPE host materials is carbonyl-containing polymers. In this work, SPE properties of three different types of carbonyl-coordinating polymers are compared: polycarbonates, polyesters, and polyketones. The investigated polymers were chosen to be as structurally similar as possible, with only the functional group being different, thereby giving direct insights into the role of the noncoordinating main-chain oxy

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26

Bhandary, Rajesh, and Monika Schönhoff. "Polymer effect on lithium ion dynamics in gel polymer electrolytes: Cationic versus acrylate polymer." Electrochimica Acta 174 (August 2015): 753–61. http://dx.doi.org/10.1016/j.electacta.2015.05.145.

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Kim, Young C., Brian L. Chaloux, Debra R. Rolison, Michelle D. Johannes, and Megan B. Sassin. "Molecular dynamics study of hydroxide ion diffusion in polymer electrolytes." Electrochemistry Communications 140 (July 2022): 107334. http://dx.doi.org/10.1016/j.elecom.2022.107334.

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Ramya, C. S., and S. Selvasekarapandian. "Spectroscopic studies on ion dynamics of PVP–NH4SCN polymer electrolytes." Ionics 20, no. 12 (2014): 1681–86. http://dx.doi.org/10.1007/s11581-014-1130-3.

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29

Ford, Hunter O., Ramsay Nuwayhid, Brian Chaloux, et al. "Accelerating Development of Submicron-Thick Initiated Chemical Vapor Deposition (iCVD)-Derived Polymer Electrolytes for All Solid-State Batteries Via Pre-Screening Bulk Surrogates." ECS Meeting Abstracts MA2024-02, no. 48 (2024): 3483. https://doi.org/10.1149/ma2024-02483483mtgabs.

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Initiated chemical vapor deposition (iCVD) is an emerging method for generating submicron-thick, conformal polymer coatings on structurally complex substrates, including those of interest to all solid-state 3D batteries, fuel cells, and capacitive deionization devices. From the perspective of the energy-storage community, the utility of iCVD arises from the ability to create conformal polymer anion- or cation-conducting solid-state electrolytes, artificial solid-electrolyte interphase (SEI) layers, and surface property-modifying coatings. Expanding the library of polymer chemistries and struct

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Chen, X. Chelsea, Robert L. Sacci, Naresh C. Osti, et al. "Correction: Study of segmental dynamics and ion transport in polymer–ceramic composite electrolytes by quasi-elastic neutron scattering." Molecular Systems Design & Engineering 4, no. 4 (2019): 983. http://dx.doi.org/10.1039/c9me90023c.

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Correction for ‘Study of segmental dynamics and ion transport in polymer–ceramic composite electrolytes by quasi-elastic neutron scattering’ by X. Chelsea Chen et al., Mol. Syst. Des. Eng., 2019, 4, 379–385.

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Chavan, Kanchan, Pallab Barai, Hong-Keun Kim, and Venkat Srinivasan. "Decoding the Ceramics Influence in the Composite Electrolytes." ECS Meeting Abstracts MA2022-02, no. 4 (2022): 494. http://dx.doi.org/10.1149/ma2022-024494mtgabs.

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As Lithium-Ion Batteries (LIBs) becomes an essential part of the everyday life, fireproof electrolytes have become an important component of the next generation battery design without compromising the performance of the battery. Composite electrolytes (CEs), consist of polymer electrolytes with highly conducting ceramic particles are promising candidates to substitute currently commercialized LIBs with liquid electrolytes. So far, experiments with CEs have discovered positive and negative effect on the overall conductivity of the CEs in the presence of ceramic particles.1–4 Therefore, exists t

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Li, Guan Min. "Mathematical Model of Transmission Mechanism from Multiphase Composite System." Advanced Materials Research 850-851 (December 2013): 300–303. http://dx.doi.org/10.4028/www.scientific.net/amr.850-851.300.

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As part of the weak electrolyte, Multiphase Composite System’s structure is more complex. So the conductive electrolyte ion transport has some difficulty to understanding the mechanism. And the present study has not yet reached a consensus, but through the ion conduction mechanism in-depth research on polymer electrolytes Preparation of important guiding significance. Current theories include ionic conductivity effective medium theory (EMT), MN law, WFL equation, NE equation, dynamic bonding penetration model.

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Brinkkötter, M., M. Gouverneur, P. J. Sebastião, F. Vaca Chávez, and M. Schönhoff. "Spin relaxation studies of Li+ ion dynamics in polymer gel electrolytes." Physical Chemistry Chemical Physics 19, no. 10 (2017): 7390–98. http://dx.doi.org/10.1039/c6cp08756f.

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Rawat, Suneyana, Monika Michalska, Pramod K. Singh, et al. "Ion Conduction Dynamics, Characterization, and Application of Ionic Liquid Tributyl Methyl Phosphonium Iodide (TMPI)-Doped Polyethylene Oxide Polymer Electrolyte." Polymers 17, no. 14 (2025): 1986. https://doi.org/10.3390/polym17141986.

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The increasing demand for high-performance energy storage devices has stimulated interest in advanced electrolyte materials. Among them, ionic liquids (ILs) stand out for their thermal stability, wide electrochemical windows, and good ionic conductivity. When doped into polymeric matrices, these ionic liquids form hybrid polymeric electrolytes that synergize the benefits of both liquid and solid electrolytes. This study explores a polymeric electrolyte based on polyethylene oxide (PEO) doped with tributylmethylphosphonium iodide (TMPI) and ammonium iodide (NH4I), focusing on its synthesis, str

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Gao, Yuqing, Yankui Mo, Shengguang Qi, Mianrui Li, Tongmei Ma, and Li Du. "Enhancing Ion Transport in Polymer Electrolytes by Regulating Solvation Structure via Hydrogen Bond Networks." Molecules 30, no. 11 (2025): 2474. https://doi.org/10.3390/molecules30112474.

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Polymer electrolytes (PEs) provide enhanced safety for high–energy–density lithium metal batteries (LMBs), yet their practical application is hampered by intrinsically low ionic conductivity and insufficient electrochemical stability, primarily stemming from suboptimal Li+ solvation environments and transport pathways coupled with slow polymer dynamics. Herein, we demonstrate a molecular design strategy to overcome these limitations by regulating the Li+ solvation structure through the synergistic interplay of conventional Lewis acid–base coordination and engineered hydrogen bond (H–bond) netw

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Oh, Kyeong-Seok, Ji Eun Lee, Yong-Hyeok Lee, et al. "Elucidating Ion Transport Phenomena in Sulfide/Polymer Composite Electrolytes for Practical Solid-State Batteries." ECS Meeting Abstracts MA2024-02, no. 8 (2024): 1095. https://doi.org/10.1149/ma2024-0281095mtgabs.

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Solid-state batteries (SSBs) are emerging as a safer, higher-energy alternative to traditional lithium-ion batteries, driven by the demand for advanced energy storage solutions. Despite the potential of inorganic/polymer composite solid-state electrolytes (CSEs) to enhance SSB performance, the mechanisms of ion transport in these systems remain poorly understood. This study aims to elucidate these mechanisms by exploring the formation of bi-percolating ion channels and ion conduction at the interfaces between inorganic and polymer electrolytes in CSEs. We selected a model CSE composed of argyr

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Zhan, Yu-Ting, Santhanamoorthi Nachimuthu, and Jyh-Chiang Jiang. "Ab Initio Molecular Dynamics Study on Self-Healing Solid Polymer Electrolyte for Lithium Metal Batteries." ECS Meeting Abstracts MA2023-02, no. 65 (2023): 3110. http://dx.doi.org/10.1149/ma2023-02653110mtgabs.

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Lithium metal batteries (LMBs) have generally become potential candidates for energy storage devices because of their high energy density. However, the practical applications of LMBs have been limited due to the low safety of liquid electrolytes. Compared to liquid electrolytes, solid-state polymer electrolytes (SPEs) have excellent mechanical strength. However, there is room for improvement because traditional PEO-based SPEs need more mechanical properties and electrode contacts for flexible energy device applications. Self-healing solid polymer electrolytes (SHSPEs) have excellent flexibilit

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Lee, Youngju, and Peng Bai. "Overlimiting Currents and Sand’s Time Behaviors in Solid Polymer Electrolytes." ECS Meeting Abstracts MA2022-02, no. 4 (2022): 485. http://dx.doi.org/10.1149/ma2022-024485mtgabs.

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Dendrite growth in solid polymer electrolytes has been frequently analyzed since it was the critical issue that limited its applications. For the liquid electrolyte systems, the dilute solution theory and the classic Nernst-Planck equation have been proven to be useful tools for analysis of ion transport dynamics and especially the dendrite initiation at Sand’s time. However, characterization of the Sand’s time in solid polymer electrolyte systems is challenging and also seldomly performed. From the experimental perspective, operando observations have been done, but the true local current dens

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Wang, Hui, Naresh C. Osti, Jürgen Allgaier, et al. "Dynamics of polymer electrolyte with LiTFSI via Quasi-Elastic Neutron Scattering." EPJ Web of Conferences 286 (2023): 04005. http://dx.doi.org/10.1051/epjconf/202328604005.

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Most lithium batteries offer a wide range of applications. However, safety issues are still an unresolved issue for several applications. To solve the safety issue of Li-ion batteries, solid polymer electrolyte is a promising candidate to replace commercial liquid electrolyte. A 4-arm star poly(ethylene oxide) polymer with LiTFSI salt as an electrolyte was studied. The dynamics of this polymer were explored with the Quasi-Elastic Neutron Scattering technique. Furthermore, the influence of temperature and Li salt concentration on the polymer dynamics was investigated. The dynamics of the polyme

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Aziz, B. Marif, Brza, Hamsan, and Kadir. "Employing of Trukhan Model to Estimate Ion Transport Parameters in PVA Based Solid Polymer Electrolyte." Polymers 11, no. 10 (2019): 1694. http://dx.doi.org/10.3390/polym11101694.

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In the current paper, ion transport parameters in poly (vinyl alcohol) (PVA) based solid polymer electrolyte were examined using Trukhan model successfully. The desired amount of lithium trifluoromethanesulfonate (LiCF3SO3) was dissolved in PVA host polymer to synthesis of solid polymer electrolytes (SPEs). Ion transport parameters such as mobility (μ), diffusion coefficient (D), and charge carrier number density (n) are investigated in detail using impedance spectroscopy. The data results from impedance plots illustrated a decrement of bulk resistance with an increase in temperature. Using el

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Gerhardt, Michael Robert, Alejandro O. Barnett, Thulile Khoza, et al. "An Open-Source Continuum Model for Anion-Exchange Membrane Water Electrolysis." ECS Meeting Abstracts MA2023-01, no. 36 (2023): 2002. http://dx.doi.org/10.1149/ma2023-01362002mtgabs.

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Anion-exchange membrane (AEM) electrolysis has the potential to produce green hydrogen at low cost by combining the advantages of conventional alkaline electrolysis and proton-exchange membrane electrolysis. The alkaline environment in AEM electrolysis enables the use of less expensive catalysts such as nickel, whereas the use of a solid polymer electrolyte enables differential pressure operation. Recent advancements in AEM performance and lifetime have spurred interest in AEM electrolysis, but many open research areas remain, such as understanding the impacts of water transport in the membran

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Xue, Xiaoyuan, Long Wan, Wenwen Li, Xueling Tan, Xiaoyu Du, and Yongfen Tong. "A Self-Healing Gel Polymer Electrolyte, Based on a Macromolecule Cross-Linked Chitosan for Flexible Supercapacitors." Gels 9, no. 1 (2022): 8. http://dx.doi.org/10.3390/gels9010008.

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Gel polymer electrolytes with a satisfied ionic conductivity have attracted interest in flexible energy storage technologies, such as supercapacitors and rechargeable batteries. However, the poor mechanical strength inhibits its widespread application. One of the most significant ways to avoid the drawbacks of the gel polymer electrolytes without compromising their ion transportation capabilities is to create a self−healing structure with the cross−linking segment. Herein, a new kind of macromolecule chemical cross−linked network ionic gel polymer electrolyte (MCIGPE) with superior electrochem

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Liu, Jie, Lifang Zhang, Yufeng Cao, et al. "Water-tolerant solid polymer electrolyte with high ion-conductivity for simplified battery manufacturing in air surroundings." Applied Physics Letters 121, no. 15 (2022): 153905. http://dx.doi.org/10.1063/5.0106897.

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The humidity-sensitive electrolytes necessitate the stringent conditions of lithium battery manufacturing and, thus, increase the fabrication complexity and cost. We herein report a water-tolerant solid polymer electrolyte (WT-SPE) with high Li+ conductivity (2.08 × 10−4 S cm−1 at room temperature) and electrochemically stable window (up to 4.7 V vs Li/Li+), which utilizes moisture to initiate rapid polymerization and form dense structures to achieve a facile battery manufacturing in humid air without the need of a glovebox. Molecular dynamics simulations attribute this hydrophobic behavior to

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Marinow, Anja, Zviadi Katcharava, and Wolfgang H. Binder. "Self‐Healing Polymer Electrolytes for Next‐Generation Lithium Batteries." Polymers 15, no. 5 (2023): 1145. https://doi.org/10.3390/polym15051145.

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Abstract The integration of polymer materials with self-healing features into advanced lithium batteries is a promising and attractive approach to mitigate degradation and, thus, improve the performance and reliability of batteries. Polymeric materials with an ability to autonomously repair themselves after damage may compensate for the mechanical rupture of an electrolyte, prevent the cracking and pulverization of electrodes or stabilize a solid electrolyte interface (SEI), thus prolonging the cycling lifetime of a battery while simultaneously tackling financial and safety issues. This paper

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Sundari, C. D. D., P. Fitriani, I. M. Arcana, and F. Iskandar. "Correlation between lithium-ion diffusion and coordination environment in solid polymer electrolytes: a molecular dynamics study." Journal of Physics: Conference Series 2734, no. 1 (2024): 012051. http://dx.doi.org/10.1088/1742-6596/2734/1/012051.

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Abstract Lithium-ion diffusion in solid polymer electrolytes (SPEs) is a pivotal characteristic that significantly influences overall lithium-ion battery performance. This characteristic can be affected by the coordination environment of lithium ions within the polymer matrix. However, the correlation between lithium-ion diffusion and its coordination environment in biopolymer-based SPEs such as carboxymethyl chitosan (CMCS) remains understudied. In this study, we used molecular dynamics (MD) simulations to investigate this correlation. Lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) was us

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Möller, Julia. "Solid-State NMR Revealing the Impact of Polymer Additives on Li-Ion Motions in Plastic-Crystalline Succinonitrile Electrolytes." ECS Meeting Abstracts MA2023-02, no. 56 (2023): 2726. http://dx.doi.org/10.1149/ma2023-02562726mtgabs.

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To enhance the safety of lithium-ion batteries (LIBs), alternatives to liquid electrolytes are widely studied. One of them is the plastic-crystal succinonitrile (SN) which can solvate various Li salts.[1] This system can be further extended by inserting polymers, bringing additional advantages such as higher melting points and the possibility of adjusting thermo-mechanical and electrochemical properties.[2] The plastic-crystalline electrolyte consisting of the Li salt lithium bis(trifluoro-methanesulfonyl)imide (LiTFSI) dissolved in SN was extended by adding various thermoplastic polymers, nam

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Ahmad, Shahzada, та S. A. Agnihotry. "Effect of nano γ-Al2O3 addition on ion dynamics in polymer electrolytes". Current Applied Physics 9, № 1 (2009): 108–14. http://dx.doi.org/10.1016/j.cap.2007.12.003.

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Selter, Philipp, Stefanie Grote, and Gunther Brunklaus. "Synthesis and7Li Ion Dynamics in Polyarylene-Ethersulfone-Phenylene-Oxide-Based Polymer Electrolytes." Macromolecular Chemistry and Physics 217, no. 23 (2016): 2584–94. http://dx.doi.org/10.1002/macp.201600211.

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Tiwari, Tuhina, Neelam Srivastava, and P. C. Srivastava. "Ion Dynamics Study of Potato Starch + Sodium Salts Electrolyte System." International Journal of Electrochemistry 2013 (2013): 1–8. http://dx.doi.org/10.1155/2013/670914.

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The effect of different anions, namely,SCN−,I−, andClO4−, on the electrical properties of starch-based polymer electrolytes has been studied. Anion size and conductivity are having an inverse trend indicating systems to be predominantly anionic conductor. Impact of anion size and multiplet forming tendency is reflected in number of charge carriers and mobility, respectively. Ion dynamics study reveals the presence of different mechanisms in different frequency ranges. Interestingly, superlinear power law (SLPL) is found to be present at <5 MHz frequency, which is further confirmed by dielec

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Srivastava, Neelam, and Manindra Kumar. "Ion dynamics behavior in solid polymer electrolyte." Solid State Ionics 262 (September 2014): 806–10. http://dx.doi.org/10.1016/j.ssi.2013.10.026.

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