Mesoscale simulations of confined Nafion thin films

Perspective: Dissipative particle dynamics

(2017) Pep Español et al.   JOURNAL OF CHEMICAL PHYSICS

The Key to High Performance Low Pt Loaded Electrodes

(2017) A. Orfanidi et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Molecular modeling of the proton density distribution in a water-filled slab-like nanopore bounded by Pt oxide and ionomer

(2016) Amin Nouri-Khorasani et al.   CATALYSIS TODAY

Molecular Dynamics Simulations on O 2 Permeation through Nafion Ionomer on Platinum Surface

(2016) Ryosuke Jinnouchi et al.   ELECTROCHIMICA ACTA

The Priority and Challenge of High-Power Performance of Low-Platinum Proton-Exchange Membrane Fuel Cells

(2016) Anusorn Kongkanand et al.   Journal of Physical Chemistry Letters

Searching for low percolation thresholds within amphiphilic polymer membranes: The effect of side chain branching

(2015) G. Dorenbos   JOURNAL OF CHEMICAL PHYSICS

Morphology of Supported Polymer Electrolyte Ultrathin Films: A Numerical Study

(2014) Daiane Damasceno Borges et al.   Journal of Physical Chemistry C

Phase segregation of sulfonate groups in Nafion interface lamellae, quantified via neutron reflectometry fitting techniques for multi-layered structures

(2014) Steven C. DeCaluwe et al.   Soft Matter

Inhomogeneous Transport in Model Hydrated Polymer Electrolyte Supported Ultrathin Films

(2013) Daiane Damasceno Borges et al.   ACS Nano

A Critical Revision of the Nano-Morphology of Proton Conducting Ionomers and Polyelectrolytes for Fuel Cell Applications

(2013) Klaus-Dieter Kreuer et al.   ADVANCED FUNCTIONAL MATERIALS

Pore morphologies and diffusion within hydrated polyelectrolyte membranes: Homogeneous vs heterogeneous and random side chain attachment

(2013) G. Dorenbos et al.   JOURNAL OF CHEMICAL PHYSICS

Self-Assembly and Transport Limitations in Confined Nafion Films

(2013) Miguel A. Modestino et al.   MACROMOLECULES

Surface-Induced Nanostructure and Water Transport of Thin Proton-Conducting Polymer Films

(2013) Sangcheol Kim et al.   MACROMOLECULES

DL_MESO: highly scalable mesoscale simulations

(2013) Michael A. Seaton et al.   MOLECULAR SIMULATION

Molecular Modeling of Hydronium Ion and Water Distribution in Water-Filled Pt Nanochannels with Corrugated Walls

(2013) Amin Nouri-Khorasani et al.   Electrocatalysis

Effect of Confinement on Structure, Water Solubility, and Water Transport in Nafion Thin Films

(2012) Scott A. Eastman et al.   MACROMOLECULES

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

A unified morphological description of Nafion membranes from SAXS and mesoscale simulations

(2011) James A. Elliott et al.   Soft Matter

Elucidating the Ionomer-Electrified Metal Interface

(2010) Ian Kendrick et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2010) Dongsheng Wu et al.   LANGMUIR

Prediction of anisotropic transport in Nafion containing catalyst layers

(2009) G. Dorenbos et al.   ELECTROCHEMISTRY COMMUNICATIONS

Coarse graining and scaling in dissipative particle dynamics

(2009) Rudolf M. Füchslin et al.   JOURNAL OF CHEMICAL PHYSICS

Multilamellar Interface Structures in Nafion

(2009) Joseph A. Dura et al.   MACROMOLECULES

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

(2009) Dongsheng Wu et al.   MACROMOLECULES

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

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

Simulation of equivalent weight dependence of Nafion morphologies and predicted trends regarding water diffusion

(2008) Gert Dorenbos et al.   JOURNAL OF MEMBRANE SCIENCE