A Multiscale Model of Electrochemical Double Layers in Energy Conversion and Storage Devices

Effects of Finite-size Ions and Relative Permittivity in a Nanopore Model of a Polymer Electrolyte Membrane

(2014) P. Berg et al.   ELECTROCHIMICA ACTA

Impact of the Cathode Microstructure on the Discharge Performance of Lithium Air Batteries: A Multiscale Model

(2014) Kan-Hao Xue et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

A multiscale physical model of a polymer electrolyte membrane water electrolyzer

(2013) Luiz Fernando L. Oliveira et al.   ELECTROCHIMICA ACTA

Simulations of Cyclic Voltammetry for Electric Double Layers in Asymmetric Electrolytes: A Generalized Modified Poisson–Nernst–Planck Model

(2013) Hainan Wang et al.   Journal of Physical Chemistry C

Atomistic Modeling of the Electrode–Electrolyte Interface in Li-Ion Energy Storage Systems: Electrolyte Structuring

(2013) Ryan Jorn et al.   Journal of Physical Chemistry C

A lithium-ion battery model including electrical double layer effects

(2013) James Marcicki et al.   JOURNAL OF POWER SOURCES

Multiscale modelling and numerical simulation of rechargeable lithium ion batteries: concepts, methods and challenges

(2013) Alejandro A. Franco   RSC Advances

Carbon-Based Electrodes for Lithium Air Batteries: Scientific and Technological Challenges from a Modeling Perspective

(2013) Alejandro A. Franco et al.   ECS Journal of Solid State Science and Technology

On the molecular origin of supercapacitance in nanoporous carbon electrodes

(2012) Céline Merlet et al.   NATURE MATERIALS

Dielectric Constant of Ionic Solutions: A Field-Theory Approach

(2012) Amir Levy et al.   PHYSICAL REVIEW LETTERS

A Reversible and Higher-Rate Li-O2 Battery

(2012) Z. Peng et al.   SCIENCE

Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes II: Size Effects on Ionic Distributions and Diffusion-Reaction Rates

(2011) Benzhuo Lu et al.   BIOPHYSICAL JOURNAL

A multiscale theoretical methodology for the calculation of electrochemical observables from ab initio data: Application to the oxygen reduction reaction in a Pt(111)-based polymer electrolyte membrane fuel cell

(2011) Rodrigo Ferreira de Morais et al.   ELECTROCHIMICA ACTA

Langevin Poisson-Boltzmann equation: point-like ions and water dipoles near a charged surface

(2011) E. Gongadze et al.   GENERAL PHYSIOLOGY AND BIOPHYSICS

Microstructure-Based Modeling of Aging Mechanisms in Catalyst Layers of Polymer Electrolyte Fuel Cells

(2011) Kourosh Malek et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computational Study of the Mechanisms of Superoxide-Induced Decomposition of Organic Carbonate-Based Electrolytes

(2011) Vyacheslav S. Bryantsev et al.   Journal of Physical Chemistry Letters

Conversion Reaction Mechanisms in Lithium Ion Batteries: Study of the Binary Metal Fluoride Electrodes

(2011) Feng Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Three Phase Interfaces at Electrified Metal−Solid Electrolyte Systems 1. Study of the Pt(hkl)−Nafion Interface

(2010) Ram Subbaraman et al.   Journal of Physical Chemistry C

Influence of Nonaqueous Solvents on the Electrochemistry of Oxygen in the Rechargeable Lithium−Air Battery

(2010) Cormac O. Laoire et al.   Journal of Physical Chemistry C

Ionic liquids: Solvation ability and polarity

(2009) Cinzia Chiappe et al.   PURE AND APPLIED CHEMISTRY

Diffuse Charge Effects in Fuel Cell Membranes

(2008) P. Maarten Biesheuvel et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY