@inproceedings{ccb9f17713ba4ea68cf5d8a302fc4a8d,
title = "Molecular dynamics study on proton transport in supported nafion ionomer thin films on lennard-jones walls",
abstract = "Molecular dynamic simulations were carried out to investigate the effects of wettability of carbon supports and the thickness of thin films on proton transport. The simplified Lennard-Jones (LJ) wall model was used as the support model, which allows us to reproduce different hydrophobic walls by just tuning the LJ parameters. The thickness dependence was investigated in the observed thickness range in a catalyst layer: 4 and 10 nm. The proton transport property was evaluated in terms of self-diffusion coefficients (DH+) and water cluster structures formed in the thin films. The obtained DH+ indicated that the DH+ increases with increasing hydrophobicity of the wall. It is also indicated that, for the high hydrophobic wall case, the DH+ decreases with increasing the thickness of thin films, while, for the low hydrophobic wall case, the DH+ is almost the same. It was confirmed that these trends were associated with the water structures formed in the thin films, i.e., water-layer-like structures are formed when the DH+ are larger.",
author = "Joji Aochi and Takuya Mabuchi and Takashi Tokumasu",
note = "Publisher Copyright: {\textcopyright} 2016 The Electrochemical Society.; Symposium on Polymer Electrolyte Fuel Cells 16, PEFC 2016 - PRiME 2016/230th ECS Meeting ; Conference date: 02-10-2016 Through 07-10-2016",
year = "2016",
doi = "10.1149/07514.0607ecst",
language = "English",
series = "ECS Transactions",
publisher = "Electrochemical Society Inc.",
number = "14",
pages = "607--614",
editor = "Jones, {D. J.} and Buchi, {F. N.} and Pivovar, {B. S.} and Fuller, {T. F.} and Weber, {A. Z.} and L. Zhuang and C. Coutanceau and Pintauro, {P. N.} and Ayers, {K. E.} and Ramani, {V. K.} and P. Strasser and Mantz, {R. A.} and Narayanan, {S. R.} and S. Mitsushima and Schmidt, {T. J.} and Sun, {S. G.} and H. Uchida and Gasteiger, {H. A.} and K. Swider-Lyons and Fenton, {J. M.} and Kim, {Y. T.} and Perry, {K. A.} and P. Shirvanian and K. Shinohara",
booktitle = "Polymer Electrolyte Fuel Cells 16, PEFC 16",
edition = "14",
}