Lithiated Nafion plasticised by a mixture of ethylene carbonate and sulfolane

Сангинов, Е. А.; Borisevich, Sophia S.; Kayumov, R. R.; Istomina, Aigul S.; Evshchik, E. Yu.; Резницких, О. Г.; Yaroslavtseva, T. V.; Melnikova, Tatiana I; Dobrovolsky, Yury A.; Бушкова, О. В.

doi:10.1016/j.electacta.2021.137914

Cited by 16 publications

(11 citation statements)

References 80 publications

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“…Reproduced with permission. [ 127 ] Copyright 2021, Elsevier. c) Temperature dependence of the ionic conductivity of the SICPEs with the polysiloxane‐based ionomer including lithium tetraphenyl borate and cyclic carbonate as randomly placed side chains (LiPSBC) for different fractions of the PEG600 plasticizer.…”

Section: Strategies To Increase the Ionic Conductivity Of Sicpesmentioning

confidence: 99%

“…Sanginov et al. [ 127 ] introduced a sulfolane (SL) solvent with a high boiling point and a low vapor pressure as well as EC into Li‐Nafion‐based SICPEs. The quantum‐chemical calculation showed a thermodynamically stable coordination structure for Li + with a flat triangular configuration in the first solvation shell, as shown in Figure a.…”

Section: Strategies To Increase the Ionic Conductivity Of Sicpesmentioning

confidence: 99%

mentioning

confidence: 99%

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Developing Single‐Ion Conductive Polymer Electrolytes for High‐Energy‐Density Solid State Batteries

Meng,

Ye,

Yang

et al. 2023

Adv Funct Materials

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Single‐ion conductive polymer electrolytes (SICPEs) with a cationic transference number (tLi+) close to unity exhibit specific advantages in solid‐state batteries (SSBs), including mitigating the ion concentration gradient and derived problems, suppressing the growth of lithium dendrites, and improving the utilization of cathode materials and the rate performance of SSBs. However, the application of SICPEs remains major challenges, i.e., the ionic conductivity is inferior at room temperature. Therefore, the recent accomplishments in improving the ambient ionic conductivity to be compatible SICPEs with a high transference number are discussed in this review. In particular, some strategies of delocalizing charges in polyanions, designing a highly conductive polymer matrix, and utilizing synergistic effects in SICPEs are focused to shed light on the further development of solid polymer electrolytes for SSBs. Finally, multifunctional species of SICPEs are discussed in view of the mechanical contact and/or charge transfer problems at the solid–solid interface in SSBs.

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Section: Strategies To Increase the Ionic Conductivity Of Sicpesmentioning

confidence: 99%

Section: Strategies To Increase the Ionic Conductivity Of Sicpesmentioning

confidence: 99%

See 1 more Smart Citation

Developing Single‐Ion Conductive Polymer Electrolytes for High‐Energy‐Density Solid State Batteries

Meng,

Ye,

Yang

et al. 2023

Adv Funct Materials

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“…To assess the thermodynamic stability of the studied complexes of solvated ionic particles, incremental (stepwise) values of the formation energies (∆ f G o inc ) were considered as the Gibbs energy of the reaction of the sequential attachment of the solvent molecule to complexes [67], based on the second consequence of Hess's law.…”

Section: Quantum Chemical Calculationsmentioning

confidence: 99%

“…In this paper, we investigate a 1 m solution of LiBF 4 in two binary solvent mixtures: EC/DMC (1:1) and SL/DMC (1:1). Earlier [67], we proposed an algorithm for the theoretical evaluation of the electrochemical stability of lithium-conducting electrolytes based on a mixed solvent. In this paper, this algorithm is used to analyse the effect of the nature of solvents on the redox potential of the electrolyte.…”

Section: Introductionmentioning

confidence: 99%

QC and MD Modelling for Predicting the Electrochemical Stability Window of Electrolytes: New Estimating Algorithm

et al. 2022

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The electrolyte is an important component of lithium-ion batteries, especially when it comes to cycling high-voltage cathode materials. In this paper, we propose an algorithm for estimating both the oxidising and reducing potential of electrolytes using molecular dynamics and quantum chemistry techniques. This algorithm can help to determine the composition and structure of the solvate complexes formed when a salt is dissolved in a mixture of solvents. To develop and confirm the efficiency of the algorithm, LiBF4 solutions in binary mixtures of ethylene carbonate (EC)/dimethyl carbonate (DMC) and sulfolane (SL)/dimethyl carbonate (DMC) were studied. The structure and composition of the complexes formed in these systems were determined according to molecular dynamics. Quantum chemical estimation of the thermodynamic and oxidative stability of solvate complexes made it possible to establish which complexes make the most significant contribution to the electrochemical stability of the electrolyte system. This method can also be used to determine the additive value of the oxidation and reduction potentials of the electrolyte, along with the contribution of each complex to the overall stability of the electrolyte. Theoretical calculations were confirmed experimentally in the course of studying electrolytes by step-by-step polarisation using inert electrodes. Thus, the main aim of the study is to demonstrate the possibility of using the developed algorithm to select the optimal composition and solvent ratio to achieve predicted redox stability.

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Elucidating Li⁺‐Ion Interactions with Ethylene Carbonate: Insights from Vibrational Infrared Spectroscopy, Electron Affinity Analysis, and Charge Dynamics to Enhance Lithium‐Ion Battery Performance

Khan,

Uddin

et al. 2024

Energy Tech

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Lithium‐ion batteries have many advantages in terms of safety and functionality compared to other batteries, which contain toxic heavy metals such as lead, nickel, cadmium, and mercury that are harmful to the environment and pose human health hazards. Herein, molecular dynamics simulations are employed to examine the chemical properties of Li+ when interacting with solid electrolytes, specifically solid electrolytes ethylene carbonate (EC). The coordination number of Li+ in this context is determined to be equal to 4 (n = 4). The distinctive characteristics of the absorption of lithium atoms (Li‐atoms) by EC in its equilibrium solvent state and as part of a complex Li+ cluster are also investigated. Vibration spectral analysis is employed to confirm one distinct Li atom with EC. This investigation reveals a noteworthy trend where the interconnection number of EC solvents experiences a distinct increase in direct correlation with a reduction in minimization energy and charge states of Li+ ion. Primarily investigation focuses on optimizing the energy associated with electron affinity and charge of ions in the context of EC solvent. This study exclusively supports the observation of three coordination states of EC calculated in the presence of Li+ (n = 1–4) and B represents the coordination number of the organic solvent ethylene

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Lithiated Nafion plasticised by a mixture of ethylene carbonate and sulfolane

Cited by 16 publications

References 80 publications

Developing Single‐Ion Conductive Polymer Electrolytes for High‐Energy‐Density Solid State Batteries

Developing Single‐Ion Conductive Polymer Electrolytes for High‐Energy‐Density Solid State Batteries

QC and MD Modelling for Predicting the Electrochemical Stability Window of Electrolytes: New Estimating Algorithm

Elucidating Li⁺‐Ion Interactions with Ethylene Carbonate: Insights from Vibrational Infrared Spectroscopy, Electron Affinity Analysis, and Charge Dynamics to Enhance Lithium‐Ion Battery Performance

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Lithiated Nafion plasticised by a mixture of ethylene carbonate and sulfolane

Cited by 16 publications

References 80 publications

Developing Single‐Ion Conductive Polymer Electrolytes for High‐Energy‐Density Solid State Batteries

Developing Single‐Ion Conductive Polymer Electrolytes for High‐Energy‐Density Solid State Batteries

QC and MD Modelling for Predicting the Electrochemical Stability Window of Electrolytes: New Estimating Algorithm

Elucidating Li+‐Ion Interactions with Ethylene Carbonate: Insights from Vibrational Infrared Spectroscopy, Electron Affinity Analysis, and Charge Dynamics to Enhance Lithium‐Ion Battery Performance

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Elucidating Li⁺‐Ion Interactions with Ethylene Carbonate: Insights from Vibrational Infrared Spectroscopy, Electron Affinity Analysis, and Charge Dynamics to Enhance Lithium‐Ion Battery Performance