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

The Curious Case of the Hydrated Proton

(2011) Chris Knight et al.   ACCOUNTS OF CHEMICAL RESEARCH

Reply to Comment on “Mixed Grotthuss and Vehicle Transport Mechanism in Proton Conducting Polymers from Ab initio Molecular Dynamics Simulations”

(2011) Guillermo A. Ludueña et al.   CHEMISTRY OF MATERIALS

Modeling gas permeation through membranes by kinetic Monte Carlo: Applications to H2, O2, and N2 in hydrated Nafion®

(2011) Gert Dorenbos et al.   JOURNAL OF CHEMICAL PHYSICS

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

Proton Solvation and Transport in Hydrated Nafion

(2011) Shulu Feng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

Water, proton, and oxygen transport in high IEC, short side chain PFSA ionomer membranes: consequences of a frustrated network

(2011) Xiaoyan Luo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The effect of side chain connectivity and local hydration on proton transfer in 3M perfluorosulfonic acid membranes

(2011) Jeffrey K. Clark et al.   SOLID STATE IONICS

Jmol– a paradigm shift in crystallographic visualization

(2010) Robert M. Hanson   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Atomistic Simulation of Water Percolation and Proton Hopping in Nafion Fuel Cell Membrane

(2010) Ram Devanathan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Modeling of Proton Transport in Nafion and Hyflon Nanostructures

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

Probing Selected Morphological Models of Hydrated Nafion Using Large-Scale Molecular Dynamics Simulations

(2010) Craig K. Knox et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Reactive Molecular Dynamics Algorithm for Proton Transport in Aqueous Systems

(2010) Myvizhi Esai Selvan et al.   Journal of Physical Chemistry C

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

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

Theoretical simulations of proton conductivity: Basic principles for improving the proton conductor

(2009) D.W.M. Hofmann et al.   JOURNAL OF POWER SOURCES

Effect of Molecular Weight on Hydrated Morphologies of the Short-Side-Chain Perfluorosulfonic Acid Membrane

(2009) Dongsheng Wu et al.   MACROMOLECULES

Nature of proton dynamics in a polymer electrolyte membrane, nafion: a first-principles molecular dynamics study

(2009) Yoong-Kee Choe et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A comparative study of the hydrated morphologies of perfluorosulfonic acid fuel cell membranes with mesoscopic simulations

(2008) Dongsheng Wu et al.   Energy & Environmental Science

Recent developments in proton exchange membranes for fuel cells

(2008) Ram Devanathan   Energy & Environmental Science

Molecular Modeling of Proton Transport in the Short-Side-Chain Perfluorosulfonic Acid Ionomer

(2008) Iordan H. Hristov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Special Pair Dance and Partner Selection: Elementary Steps in Proton Transport in Liquid Water

(2008) Omer Markovitch et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Short-side-chain proton conducting perfluorosulfonic acid ionomers: Why they perform better in PEM fuel cells

(2007) K.D. Kreuer et al.   JOURNAL OF POWER SOURCES