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

Yuan-yuan Zhao; Eiji Tsuchida; Yoong-Kee Choe; Tamio Ikeshoji; Tatsuya Oshima; Masahiro Rikukawa; Akihiro Ohira

doi:10.1021/acs.jpcc.6b04030

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

Download Full-text

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

Download Full-text

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

Download Full-text

Structures and Transport Properties of Hydrated Water-Soluble Dendrimer-Grafted Polymer Membranes for Application to Polymer Electrolyte Membrane Fuel Cells: Classical Molecular Dynamics Approach

The Journal of Physical Chemistry C ◽

10.1021/jp066014u ◽

2007 ◽

Vol 111 (6) ◽

pp. 2759-2769 ◽

Cited By ~ 37

Author(s):

Seung Soon Jang ◽

William A. Goddard

Keyword(s):

Molecular Dynamics ◽

Fuel Cells ◽

Transport Properties ◽

Polymer Electrolyte ◽

Polymer Electrolyte Membrane ◽

Polymer Membranes ◽

Water Soluble ◽

Grafted Polymer ◽

Electrolyte Membrane ◽

Classical Molecular Dynamics

Download Full-text

A First-Principles-Based Comparison Between Ruthenium- and Neobium-Doped Titanium Dioxide as Catalyst Support for High-Temperature Polymer Electrolyte Membrane Fuel Cells

ECS Meeting Abstracts ◽

10.1149/ma2010-01/11/744 ◽

2010 ◽

Keyword(s):

Titanium Dioxide ◽

Fuel Cells ◽

High Temperature ◽

Polymer Electrolyte ◽

First Principles ◽

Polymer Electrolyte Membrane ◽

Catalyst Support ◽

Electrolyte Membrane ◽

Doped Titanium Dioxide

Download Full-text

Effect of Anisotropic Gas Diffusion Layer Structure on the Cathode Dead-End Mode of Polymer Electrolyte Membrane Fuel Cells for the Submarine

Journal of the KNST ◽

10.31818/jknst.2019.09.2.2.66 ◽

2019 ◽

Vol 2 (2) ◽

pp. 66-70

Author(s):

Jeong Hoon Seo ◽

Dong Kyu Kim ◽

Hyun Min Baek

Keyword(s):

Fuel Cells ◽

Polymer Electrolyte ◽

Diffusion Layer ◽

Layer Structure ◽

Polymer Electrolyte Membrane ◽

Gas Diffusion Layer ◽

Gas Diffusion ◽

Electrolyte Membrane ◽

Dead End

Download Full-text

Effect of gas composition on Ru dissolution and crossover in polymer-electrolyte membrane fuel cells

Journal of Power Sources ◽

10.1016/j.jpowsour.2010.02.028 ◽

2010 ◽

Vol 195 (15) ◽

pp. 4622-4627 ◽

Cited By ~ 11

Author(s):

Tommy T.H. Cheng ◽

Nengyou Jia ◽

Vesna Colbow ◽

Silvia Wessel ◽

Monica Dutta

Keyword(s):

Fuel Cells ◽

Polymer Electrolyte ◽

Polymer Electrolyte Membrane ◽

Gas Composition ◽

Electrolyte Membrane

Download Full-text

Optimal parameter estimation of polymer electrolyte membrane fuel cells model with chaos embedded particle swarm optimization

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2020.12.203 ◽

2021 ◽

Author(s):

Mahmut Temel Özdemir

Keyword(s):

Parameter Estimation ◽

Particle Swarm Optimization ◽

Fuel Cells ◽

Polymer Electrolyte ◽

Optimal Parameter ◽

Polymer Electrolyte Membrane ◽

Particle Swarm ◽

Swarm Optimization ◽

Electrolyte Membrane ◽

Optimal Parameter Estimation

Download Full-text

Application of porous materials for the flow field in polymer electrolyte membrane fuel cells

Journal of Power Sources ◽

10.1016/j.jpowsour.2021.229664 ◽

2021 ◽

Vol 492 ◽

pp. 229664

Author(s):

Yinghui Zhang ◽

Youkun Tao ◽

Jing Shao

Keyword(s):

Fuel Cells ◽

Flow Field ◽

Porous Materials ◽

Polymer Electrolyte ◽

Polymer Electrolyte Membrane ◽

Electrolyte Membrane

Download Full-text

Poly(benzimidazole)/poly(vinylphosphonic acid) blend membranes with enhanced performance for high temperature polymer electrolyte membrane fuel cells

Solid State Ionics ◽

10.1016/j.ssi.2021.115635 ◽

2021 ◽

Vol 364 ◽

pp. 115635

Author(s):

Zohre Taherkhani ◽

Mahdi Abdollahi ◽

Alireza Sharif ◽

Sara Barati

Keyword(s):

Fuel Cells ◽

High Temperature ◽

Polymer Electrolyte ◽

Polymer Electrolyte Membrane ◽

Electrolyte Membrane ◽

Blend Membranes ◽

Vinylphosphonic Acid

Download Full-text

Effect of catalyst layer microstructures on performance and stability for high temperature polymer electrolyte membrane fuel cells

Journal of Power Sources ◽

10.1016/j.jpowsour.2021.230059 ◽

2021 ◽

Vol 505 ◽

pp. 230059

Author(s):

Jujia Zhang ◽

Haining Wang ◽

Wen Li ◽

Jin Zhang ◽

Di Lu ◽

...

Keyword(s):

Fuel Cells ◽

High Temperature ◽

Polymer Electrolyte ◽

Polymer Electrolyte Membrane ◽

Catalyst Layer ◽

Electrolyte Membrane

Download Full-text