@inproceedings{48091479c4314208b65ab113387589d7,
title = "An improved EVB model for proton transport in polymer electrolyte membrane",
abstract = "We have performed a detailed analysis of proton solvation and transport properties in hydrated Nafion using molecular dynamics simulation. The revised EVB model predicts a significantly enhanced transport in comparison with the classical hydronium models, which largely improves the agreement with the available experimental data. The excess proton was found to have weaker interaction with the sulfonate groups in comparison with the classical hydronium ion, reflecting the delocalization nature of the proton charge defects in the EVB model. Our results suggest that the hopping transport has a large contribution to the proton diffusion even at lower hydration levels, as low as 3. It was also found that the Grotthuss component becomes more important and its contribution increases linearly as the hydration level increases.",
author = "Takuya Mabuchi and Takashi Tokumasu",
note = "Publisher Copyright: {\textcopyright} The Electrochemical Society.; 14th Polymer Electrolyte Fuel Cell Symposium, PEFC 2014 - 226th ECS Meeting ; Conference date: 05-10-2014 Through 09-10-2014",
year = "2014",
doi = "10.1149/06403.0699ecst",
language = "English",
series = "ECS Transactions",
publisher = "Electrochemical Society Inc.",
number = "3",
pages = "699--704",
editor = "K. Shinohara and Narayanan, {S. R.} and K. Swider-Lyons and A. Weber and C. Coutanceau and R. Mantz and Gasteiger, {H. A.} and D. Jones and M. Edmundson and S. Mitsushima and V. Ramani and Y. Meas and T. Fuller and H. Uchida and Buchi, {F. N.} and Perry, {K. A.} and Schmidt, {T. J.} and Fenton, {J. M.} and P. Strasser",
booktitle = "Polymer Electrolyte Fuel Cells 14",
edition = "3",
}