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

Yoong-Kee Choe; Eiji Tsuchida; Tamio Ikeshoji; Shunsuke Yamakawa; Shi-aki Hyodo

doi:10.1039/b819535h

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

Physical Chemistry Chemical Physics ◽

10.1039/b819535h ◽

2009 ◽

Vol 11 (20) ◽

pp. 3892 ◽

Cited By ~ 73

Author(s):

Yoong-Kee Choe ◽

Eiji Tsuchida ◽

Tamio Ikeshoji ◽

Shunsuke Yamakawa ◽

Shi-aki Hyodo

Keyword(s):

Molecular Dynamics ◽

Polymer Electrolyte ◽

First Principles ◽

Polymer Electrolyte Membrane ◽

Electrolyte Membrane ◽

Proton Dynamics ◽

First Principles Molecular Dynamics

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First-Principles Molecular Dynamics Study of a Hydrocarbon Copolymer for Use in Polymer Electrolyte Membrane Fuel Cells

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b04030 ◽

2016 ◽

Vol 120 (25) ◽

pp. 13398-13405 ◽

Cited By ~ 4

Author(s):

Yuan-yuan Zhao ◽

Eiji Tsuchida ◽

Yoong-Kee Choe ◽

Tamio Ikeshoji ◽

Tatsuya Oshima ◽

...

Keyword(s):

Molecular Dynamics ◽

Fuel Cells ◽

Polymer Electrolyte ◽

First Principles ◽

Polymer Electrolyte Membrane ◽

Electrolyte Membrane ◽

First Principles Molecular Dynamics

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J056032 The Degradation Simulation of the Polymer Electrolyte Membrane Based on First-Principles Molecular Dynamics

The Proceedings of Mechanical Engineering Congress Japan ◽

10.1299/jsmemecj.2012._j056032-1 ◽

2012 ◽

Vol 2012 (0) ◽

pp. _J056032-1-_J056032-3

Author(s):

Akira KOBAYASHI ◽

Yuji HIGUCHI ◽

Nobuki OZAWA ◽

Tomomi SHIMAZAKI ◽

Momoji KUBO

Keyword(s):

Molecular Dynamics ◽

Polymer Electrolyte ◽

First Principles ◽

Polymer Electrolyte Membrane ◽

Electrolyte Membrane ◽

First Principles Molecular Dynamics

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First-Principles Molecular Dynamics Simulation of the Chemical Degradation of Polymer Electrolyte Membranes

ECS Meeting Abstracts ◽

10.1149/ma2012-02/21/2144 ◽

2012 ◽

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Electrolyte ◽

First Principles ◽

Polymer Electrolyte Membranes ◽

Chemical Degradation ◽

Dynamics Simulation ◽

Electrolyte Membranes ◽

First Principles Molecular Dynamics

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Multi-Scale First-Principles Modeling of Three-Phase System of Polymer Electrolyte Membrane Fuel Cell

ECS Transactions ◽

10.1149/05002.0155ecst ◽

2013 ◽

Vol 50 (2) ◽

pp. 155-160 ◽

Cited By ~ 1

Author(s):

G. F. Brunello ◽

J. I. Choi ◽

D. A. Harvey ◽

S. S. Jang

Keyword(s):

Fuel Cell ◽

Polymer Electrolyte ◽

First Principles ◽

Polymer Electrolyte Membrane ◽

Phase System ◽

Electrolyte Membrane ◽

Multi Scale ◽

Three Phase

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Molecular Dynamics Simulation of Proton Transport in Polymer Electrolyte Membrane

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2015.9647 ◽

2015 ◽

Vol 15 (4) ◽

pp. 2958-2963 ◽

Cited By ~ 5

Author(s):

Takuya Mabuchi ◽

Takashi Tokumasu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Electrolyte ◽

Proton Transport ◽

Polymer Electrolyte Membrane ◽

Dynamics Simulation ◽

Electrolyte Membrane

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Molecular Dynamics Study of Proton Transport in Modeled Water Cluster Structure of Polymer Electrolyte Membrane

ECS Transactions ◽

10.1149/06917.0723ecst ◽

2015 ◽

Vol 69 (17) ◽

pp. 723-729

Author(s):

T. Mabuchi ◽

T. Tokumasu

Keyword(s):

Molecular Dynamics ◽

Polymer Electrolyte ◽

Water Cluster ◽

Proton Transport ◽

Polymer Electrolyte Membrane ◽

Cluster Structure ◽

Electrolyte Membrane

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Chitosan/graphene complex membrane for polymer electrolyte membrane fuel cell: A molecular dynamics simulation study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2020.03.124 ◽

2020 ◽

Vol 45 (48) ◽

pp. 25960-25969

Author(s):

Hong-Ping Zhang ◽

Neha S. Gandhi ◽

Yuantong Gu ◽

Yaping Zhang ◽

Youhong Tang

Keyword(s):

Molecular Dynamics ◽

Fuel Cell ◽

Molecular Dynamics Simulation ◽

Polymer Electrolyte ◽

Simulation Study ◽

Polymer Electrolyte Membrane ◽

Dynamics Simulation ◽

Electrolyte Membrane ◽

Complex Membrane

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Molecular Dynamics Study of Proton Transfer Including Grotthus Mechanism in Polymer Electrolyte Membrane

ECS Meeting Abstracts ◽

10.1149/ma2010-02/10/841 ◽

2010 ◽

Keyword(s):

Molecular Dynamics ◽

Proton Transfer ◽

Polymer Electrolyte ◽

Polymer Electrolyte Membrane ◽

Electrolyte Membrane ◽

Grotthus Mechanism

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Molecular Dynamics Study of Proton Transport in Modeled Water Cluster Structure of Polymer Electrolyte Membrane

ECS Meeting Abstracts ◽

10.1149/ma2015-02/37/1422 ◽

2015 ◽

Keyword(s):

Molecular Dynamics ◽

Polymer Electrolyte ◽

Water Cluster ◽

Proton Transport ◽

Polymer Electrolyte Membrane ◽

Cluster Structure ◽

Electrolyte Membrane

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Analysis of the Influence of Cerium Ions on Mass Transport Properties in Polymer Electrolyte Membrane by Molecular Dynamics Simulation

ECS Meeting Abstracts ◽

10.1149/ma2019-02/34/1499 ◽

2019 ◽

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Mass Transport ◽

Transport Properties ◽

Polymer Electrolyte ◽

Polymer Electrolyte Membrane ◽

Dynamics Simulation ◽

Electrolyte Membrane

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