Atomistic simulations of structure and dynamics of hydrated Aciplex polymer electrolyte membrane

The mechanism of proton conduction in phosphoric acid

(2012) Linas Vilčiauskas et al.   Nature Chemistry

Insight from molecular modelling: does the polymer side chain length matter for transport properties of perfluorosulfonic acid membranes?

(2012) Ram Devanathan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ion-Exchange Membrane Electrodialysis for Saline Water Desalination and Its Application to Seawater Concentration

(2011) Yoshinobu Tanaka   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Molecular dynamics simulations of triflic acid and triflate ion/water mixtures: A proton conducting electrolytic component in fuel cells

(2011) Anurag Prakash Sunda et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Proton Transport in Triflic Acid Pentahydrate Studied via Ab Initio Path Integral Molecular Dynamics

(2011) Robin L. Hayes et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Toward a Predictive Understanding of Water and Charge Transport in Proton Exchange Membranes

(2011) Myvizhi Esai Selvan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Refined MS-EVB Model for Proton Transport in Aqueous Environments

(2011) Kyoyeon Park et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Reactive Molecular Dynamics Study of Proton Transport in Polymer Electrolyte Membranes

(2011) Myvizhi Esai Selvan et al.   Journal of Physical Chemistry C

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

(2010) Dominik Marx et al.   CHEMICAL REVIEWS

Molecular Dynamics Modeling of Proton Transport in Nafion and Hyflon Nanostructures

(2010) Jaanus Karo et al.   JOURNAL OF PHYSICAL CHEMISTRY B

On the Relationship between Polymer Electrolyte Structure and Hydrated Morphology of Perfluorosulfonic Acid Membranes

(2010) Junwu Liu et al.   Journal of Physical Chemistry C

Mesoscale Modeling of Hydrated Morphologies of 3M Perfluorosulfonic Acid-Based Fuel Cell Electrolytes

(2010) Dongsheng Wu et al.   LANGMUIR

Nanostructure Evolution in High-Temperature Perfluorosulfonic Acid Ionomer Membrane by Small-Angle X-ray Scattering

(2010) Mayur K. Mistry et al.   LANGMUIR

Proton Transport in Triflic Acid Hydrates Studied via Path Integral Car−Parrinello Molecular Dynamics

(2009) Robin L. Hayes et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Role of Charge Transfer in the Structure and Dynamics of the Hydrated Proton

(2009) Jessica M. J. Swanson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Modelling the Nafion® diffraction profile by molecular dynamics simulation

(2009) Daniel Brandell et al.   JOURNAL OF POWER SOURCES

Recent developments in proton exchange membranes for fuel cells

(2008) Ram Devanathan   Energy & Environmental Science

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Comparison of the Hydration and Diffusion of Protons in Perfluorosulfonic Acid Membranes with Molecular Dynamics Simulations

(2008) Shengting Cui et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Investigation of Water Structure in Nafion Membranes by Infrared Spectroscopy and Molecular Dynamics Simulation

(2008) Detlef W. M. Hofmann et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Proton channels

(2008) Olivier Diat et al.   NATURE MATERIALS