Role of cationic groups on structural and dynamical correlations in hydrated quaternary ammonium-functionalized poly(p-phenylene oxide)-based anion exchange membranes

Hydrophilic side chain assisting continuous ion-conducting channels for anion exchange membranes

(2018) Yu Pan et al.   JOURNAL OF MEMBRANE SCIENCE

Grotthuss versus Vehicular Transport of Hydroxide in Anion-Exchange Membranes: Insight from Combined Reactive and Nonreactive Molecular Simulations

(2018) Dengpan Dong et al.   Journal of Physical Chemistry Letters

An optimised synthesis of high performance radiation-grafted anion-exchange membranes

(2017) Lianqin Wang et al.   GREEN CHEMISTRY

Ion exchange membranes: New developments and applications

(2017) Jin Ran et al.   JOURNAL OF MEMBRANE SCIENCE

Structural and Dynamical Properties of Tetraalkylammonium Bromide Aqueous Solutions: A Molecular Dynamics Simulation Study Using a Polarizable Force Field

(2017) Dengpan Dong et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nanoscale Structure and Morphology of Sulfonated Polyphenylenes via Atomistic Simulations

(2017) Lauren J. Abbott et al.   MACROMOLECULES

Elastic Long-Chain Multication Cross-Linked Anion Exchange Membranes

(2017) Juanjuan Han et al.   MACROMOLECULES

Expanding metal cation options in polymeric anion exchange membranes

(2017) Michael T. Kwasny et al.   Journal of Materials Chemistry A

High-Resolution Coarse-Grained Model of Hydrated Anion-Exchange Membranes that Accounts for Hydrophobic and Ionic Interactions through Short-Ranged Potentials

(2016) Jibao Lu et al.   Journal of Chemical Theory and Computation

Nuclear Quantum Effects in H+ and OH– Diffusion along Confined Water Wires

(2016) Mariana Rossi et al.   Journal of Physical Chemistry Letters

Hydroxide Solvation and Transport in Anion Exchange Membranes

(2016) Chen Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photoinduced and Thermal Relaxation in Surface-Grafted Azobenzene-Based Monolayers: A Molecular Dynamics Simulation Study

(2016) Dmitry Bedrov et al.   LANGMUIR

Multication Side Chain Anion Exchange Membranes

(2016) Liang Zhu et al.   MACROMOLECULES

Ion mixing, hydration, and transport in aqueous ionic systems

(2015) Ying-Lung Steve Tse et al.   JOURNAL OF CHEMICAL PHYSICS

Water uptake profile in a model ion-exchange membrane: Conditions for water-rich channels

(2015) Daniel C. Herbst et al.   JOURNAL OF CHEMICAL PHYSICS

ReaxFF Reactive Molecular Dynamics Simulation of Functionalized Poly(phenylene oxide) Anion Exchange Membrane

(2015) Weiwei Zhang et al.   Journal of Physical Chemistry C

Poly(phenylene oxide) functionalized with quaternary ammonium groups via flexible alkyl spacers for high-performance anion exchange membranes

(2015) Hai-Son Dang et al.   Journal of Materials Chemistry A

Anion-exchange membranes in electrochemical energy systems

(2014) John R. Varcoe et al.   Energy & Environmental Science

Hydroxide, halide and water transport in a model anion exchange membrane

(2014) M.G. Marino et al.   JOURNAL OF MEMBRANE SCIENCE

Insights into the Transport of Aqueous Quaternary Ammonium Cations: A Combined Experimental and Computational Study

(2014) Himanshu N. Sarode et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Simulation Study of a Polysulfone-Based Anion Exchange Membrane in Comparison with the Proton Exchange Membrane

(2014) Kyung Won Han et al.   Journal of Physical Chemistry C

Ion Conducting Membranes for Fuel Cells and other Electrochemical Devices

(2013) Klaus-Dieter Kreuer   CHEMISTRY OF MATERIALS

Constructing ionic highway in alkaline polymer electrolytes

(2013) Jing Pan et al.   Energy & Environmental Science

Chloride Enhances Fluoride Mobility in Anion Exchange Membrane/Polycationic Systems

(2013) Ying-Lung Steve Tse et al.   Journal of Physical Chemistry C

Why Do Sulfone-Based Electrolytes Show Stability at High Voltages? Insight from Density Functional Theory

(2013) Yating Wang et al.   Journal of Physical Chemistry Letters

Highly Stable, Anion Conductive, Comb-Shaped Copolymers for Alkaline Fuel Cells

(2013) Nanwen Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Proton Conduction in Exchange Membranes across Multiple Length Scales

(2012) Ryan Jorn et al.   ACCOUNTS OF CHEMICAL RESEARCH

Proton Defect Solvation and Dynamics in Aqueous Acid and Base

(2012) Seyit Kale et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Radiation grafted membranes for superior anion exchange polymer membrane fuel cells performance

(2012) M. Mamlouk et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydroxide Ion Can Move Faster Than an Excess Proton through One-Dimensional Water Chains in Hydrophobic Narrow Pores

(2012) Arindam Bankura et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effects of Tetramethyl- and Tetraethylammonium Chloride on H2O: Calorimetric and Near-Infrared Spectroscopic Study

(2012) Yoshikata Koga et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electrode/Electrolyte Interface in Sulfolane-Based Electrolytes for Li Ion Batteries: A Molecular Dynamics Simulation Study

(2012) Lidan Xing et al.   Journal of Physical Chemistry C

Electrocatalyst approaches and challenges for automotive fuel cells

(2012) Mark K. Debe   NATURE

Tertiary sulfonium as a cationic functional group for hydroxide exchange membranes

(2012) Bingzi Zhang et al.   RSC Advances

Designing Advanced Alkaline Polymer Electrolytes for Fuel Cell Applications

(2011) Jing Pan et al.   ACCOUNTS OF CHEMICAL RESEARCH

Development of a Polarizable Force Field for Molecular Dynamics Simulations of Poly (Ethylene Oxide) in Aqueous Solution

(2011) Oleg N. Starovoytov et al.   Journal of Chemical Theory and Computation

Anion exchange membranes for alkaline fuel cells: A review

(2011) Géraldine Merle et al.   JOURNAL OF MEMBRANE SCIENCE

A review of polymer electrolyte membrane fuel cells: Technology, applications, and needs on fundamental research

(2010) Yun Wang et al.   APPLIED ENERGY

Recent trends and developments in polymer electrolyte membrane fuel cell modelling

(2010) A.A. Shah et al.   ELECTROCHIMICA ACTA

Review of the proton exchange membranes for fuel cell applications

(2010) S.J. Peighambardoust et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Influence of Polarization on Structural, Thermodynamic, and Dynamic Properties of Ionic Liquids Obtained from Molecular Dynamics Simulations

(2010) Dmitry Bedrov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Tunable High Performance Cross-Linked Alkaline Anion Exchange Membranes for Fuel Cell Applications

(2010) Nicholas J. Robertson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Dusty Fluid Model for Predicting Hydroxyl Anion Conductivity in Alkaline Anion Exchange Membranes

(2010) Kyle N. Grew et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Investigating Hydroxide Anion Interfacial Activity by Classical and Multistate Empirical Valence Bond Molecular Dynamics Simulations

(2009) Collin D. Wick et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids

(2009) Oleg Borodin   JOURNAL OF PHYSICAL CHEMISTRY B

Synthesis of Soluble Poly(arylene ether sulfone) Ionomers with Pendant Quaternary Ammonium Groups for Anion Exchange Membranes

(2009) Junhua Wang et al.   MACROMOLECULES

Transport Properties of Hydroxide and Proton Conducting Membranes

(2008) Michael R. Hibbs et al.   CHEMISTRY OF MATERIALS