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Tunable OH– Transport and Alkaline Stability by Imidazolium-Based Groups of Poly(2,6-dimethyl-1,4-phenylene oxide) Anion Exchange Membranes: A Molecular Dynamics Simulation

https://doi.org/10.1021/acs.iecr.1c00230

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What this work says

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Alkaline Stability of Quaternary Ammonium Cations for Alkaline Fuel Cell Membranes and Ionic Liquids

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Configuring Anion‐Exchange Membranes for High Conductivity and Alkaline Stability by Using Cationic Polymers with Tailored Side Chains

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Molecular dynamics study of confined structure and diffusion of hydrated proton in Hyfion® perfluorosulfonic acid membranes

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Understanding of imidazolium group hydration and polymer structure for hydroxide anion conduction in hydrated imidazolium-g-PPO membrane by molecular dynamics simulations

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Molecular dynamics simulation of the functional group effect in hydrocarbon anionic exchange membranes

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Molecular dynamics simulation on the effect of water uptake on hydrogen bond network for OH− conduction in imidazolium-g-PPO membrane

inferredcites →https://doi.org/10.1016/j.jpowsour.2017.08.026openalex-snapshot

The critical relation between chemical stability of cations and water in anion exchange membrane fuel cells environment

inferredcites →https://doi.org/10.1016/j.memsci.2011.04.043openalex-snapshot

Anion exchange membranes for alkaline fuel cells: A review

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Development of imidazolium-type alkaline anion exchange membranes for fuel cell application

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Computational modeling of structure and OH-anion diffusion in quaternary ammonium polysulfone hydroxide – Polymer electrolyte for application in electrochemical devices

inferredcites →https://doi.org/10.1016/j.memsci.2016.07.012openalex-snapshot

Poly(2,6-dimethyl-1,4-phenylene oxide) containing imidazolium-terminated long side chains as hydroxide exchange membranes with improved conductivity

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Molecular modeling of OH− transport in poly(arylene ether sulfone ketone)s containing quaternized ammonio-substituted fluorenyl groups as anion exchange membranes

inferredcites →https://doi.org/10.1016/j.memsci.2018.04.027openalex-snapshot

Anion conductive poly(2,6-dimethyl phenylene oxide)s with clicked bulky quaternary phosphonium groups

inferredcites →https://doi.org/10.1016/j.memsci.2020.117829openalex-snapshot

Hydrophobic-hydrophilic comb-type quaternary ammonium-functionalized SEBS copolymers for high performance anion exchange membranes

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Effect of ion exchange capacity and water uptake on hydroxide transport in PSU-TMA membranes: A DFT and molecular dynamics study

inferredcites →https://doi.org/10.1016/j.memsci.2020.117881openalex-snapshot

Quaternized poly(2,6-dimethyl-1,4-phenylene oxide) anion exchange membranes with pendant sterically-protected imidazoliums for alkaline fuel cells

inferredcites →https://doi.org/10.1016/j.molliq.2020.113485openalex-snapshot

Unexpected hydroxide ion structure and properties at low hydration

inferredcites →https://doi.org/10.1016/j.progpolymsci.2008.07.002openalex-snapshot

Poly(2,6-dimethyl-1,4-phenylene oxide) (PPO)—A versatile starting polymer for proton conductive membranes (PCMs)

inferredcites →https://doi.org/10.1016/j.progpolymsci.2011.04.004openalex-snapshot

Polymeric materials as anion-exchange membranes for alkaline fuel cells

inferredcites →https://doi.org/10.1016/j.progpolymsci.2019.101177openalex-snapshot

Alkaline-stable anion exchange membranes: A review of synthetic approaches

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Hydroxide Ion Diffusion in Anion-Exchange Membranes at Low Hydration: Insights from Ab Initio Molecular Dynamics

inferredcites →https://doi.org/10.1021/acs.jpcc.8b00752openalex-snapshot

Molecular Simulation of Quaternary Ammonium Solutions at Low Hydration Levels

inferredcites →https://doi.org/10.1021/acs.jpcc.9b07881openalex-snapshot

Effect of Ammonium Cations on the Diffusivity and Structure of Hydroxide Ions in Low Hydration Media

inferredcites →https://doi.org/10.1021/acs.macromol.5b01302openalex-snapshot

Exploring Different Cationic Alkyl Side Chain Designs for Enhanced Alkaline Stability and Hydroxide Ion Conductivity of Anion-Exchange Membranes

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Multiscale Tortuous Diffusion in Anion and Cation Exchange Membranes

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High-Performing Hydroxide Exchange Membranes with Flexible Tetra-Piperidinium Side Chains Linked by Alkyl Spacers

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Alkaline Stable C2-Substituted Imidazolium-Based Anion-Exchange Membranes

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Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton

inferredcites →https://doi.org/10.1021/jacs.5b02879openalex-snapshot

Imidazolium Cations with Exceptional Alkaline Stability: A Systematic Study of Structure–Stability Relationships

inferredcites →https://doi.org/10.1021/jacs.5b11951openalex-snapshot

Hydroxide Solvation and Transport in Anion Exchange Membranes

inferredcites →https://doi.org/10.1021/jp501362yopenalex-snapshot

Hydroxide Degradation Pathways for Imidazolium Cations: A DFT Study

inferredcites →https://doi.org/10.1021/jp910572gopenalex-snapshot

Anion-Exchange Membrane Fuel Cells: Dual-Site Mechanism of Oxygen Reduction Reaction in Alkaline Media on Cobalt−Polypyrrole Electrocatalysts

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COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

inferredcites →https://doi.org/10.1038/35104620openalex-snapshot

Materials for fuel-cell technologies

inferredcites →https://doi.org/10.1038/s41467-019-10292-zopenalex-snapshot

Poly(bis-arylimidazoliums) possessing high hydroxide ion exchange capacity and high alkaline stability

inferredcites →https://doi.org/10.1039/c1jm10656bopenalex-snapshot

Imidazolium functionalized polysulfone anion exchange membrane for fuel cell application

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Constructing ionic highway in alkaline polymer electrolytes

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Alkaline stable imidazolium-based ionomers containing poly(arylene ether sulfone) side chains for alkaline anion exchange membranes

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A benzyltetramethylimidazolium-based membrane with exceptional alkaline stability in fuel cells: role of its structure in alkaline stability

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Beneficial use of rotatable-spacer side-chains in alkaline anion exchange membranes for fuel cells

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Synthesis and Alkaline Stability of Solubilized Anion Exchange Membrane Binders Based on Poly(phenylene oxide) Functionalized with Quaternary Ammonium Groups via a Hexyl Spacer

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Rational Understanding Hydroxide Diffusion Mechanism in Anion Exchange Membranes during Electrochemical Processes with RDAnalyzer

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inferred← citeshttps://doi.org/10.1016/j.comptc.2023.114083openalex-snapshot

Theoretical study of the degradation mechanisms of substituted imidazolium cations

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Molecular dynamics simulations study on the effect of nanofillers on 1,2,3-triazolium quaternized poly (2, 6-dimethyl-1, 4-phenylene oxide) anion exchange membrane

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Tailoring the molecular structure of pyridine-based polymers for enhancing performance of anion exchange electrolyte membranes

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A mini-review on alkaline stability of imidazolium cations and imidazolium-based anion exchange membranes

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The inhibiting water uptake mechanism of main-chain type N-spirocyclic quaternary ammonium ionene blended with polybenzimidazole as anion exchange membrane

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Insight into the Alkaline Stability of Arylene-Linked Bis-Benzimidazoles and Polybenzimidazoles

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