Enhancement of Phosphoric Acid-Functionalized Graphene Oxide on SPEEK Membrane Performance

Juan Li; Jiang Liu; Shuai Wang; Yao Xu

doi:10.1002/app.56804

Enhancement of Phosphoric Acid-Functionalized Graphene Oxide on SPEEK Membrane Performance

Juan Li
, Jiang Liu
, Shuai Wang^*
, Yao Xu

^*Corresponding author for this work

School of Energy Science and Engineering

School of Energy Science and Engineering, Harbin Institute of Technology
Harbin Institute of Technology
Hefei University of Technology

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

Sulfonated poly ether ether ketone (SPEEK) membrane has a great potential in the application of proton exchange membrane fuel cells owing to low cost. However, it suffers from limited proton conductivity. In this paper, quantum chemistry calculation and molecular dynamics simulation are employed to reveal the enhancing mechanism of phosphoric acid-functionalized graphene oxide (GO) on proton conduction in the SPEEK membrane. The results reveal that the strong interaction between sulfonic acid group and phosphoric acid group leads to the dissociation of proton and the proton transfer pathway with a low energy barrier is formed. Meanwhile, it is found that the phosphoric acid-functionalized GO can interact well with water molecule and membrane matrix so as to promote the transport of water molecules in the membrane.

Original language	English
Article number	e56804
Journal	Journal of Applied Polymer Science
Volume	142
Issue number	17
DOIs	https://doi.org/10.1002/app.56804
State	Published - 5 May 2025

Keywords

batteries and fuel cells
electrochemistry
membranes

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@article{0e62ba75b259499fa90ef8a7c15162a6,

title = "Enhancement of Phosphoric Acid-Functionalized Graphene Oxide on SPEEK Membrane Performance",

abstract = "Sulfonated poly ether ether ketone (SPEEK) membrane has a great potential in the application of proton exchange membrane fuel cells owing to low cost. However, it suffers from limited proton conductivity. In this paper, quantum chemistry calculation and molecular dynamics simulation are employed to reveal the enhancing mechanism of phosphoric acid-functionalized graphene oxide (GO) on proton conduction in the SPEEK membrane. The results reveal that the strong interaction between sulfonic acid group and phosphoric acid group leads to the dissociation of proton and the proton transfer pathway with a low energy barrier is formed. Meanwhile, it is found that the phosphoric acid-functionalized GO can interact well with water molecule and membrane matrix so as to promote the transport of water molecules in the membrane.",

keywords = "batteries and fuel cells, electrochemistry, membranes",

author = "Juan Li and Jiang Liu and Shuai Wang and Yao Xu",

note = "Publisher Copyright: {\textcopyright} 2025 Wiley Periodicals LLC.",

year = "2025",

month = may,

day = "5",

doi = "10.1002/app.56804",

language = "英语",

volume = "142",

journal = "Journal of Applied Polymer Science",

issn = "0021-8995",

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TY - JOUR

T1 - Enhancement of Phosphoric Acid-Functionalized Graphene Oxide on SPEEK Membrane Performance

AU - Li, Juan

AU - Liu, Jiang

AU - Wang, Shuai

AU - Xu, Yao

PY - 2025/5/5

Y1 - 2025/5/5

N2 - Sulfonated poly ether ether ketone (SPEEK) membrane has a great potential in the application of proton exchange membrane fuel cells owing to low cost. However, it suffers from limited proton conductivity. In this paper, quantum chemistry calculation and molecular dynamics simulation are employed to reveal the enhancing mechanism of phosphoric acid-functionalized graphene oxide (GO) on proton conduction in the SPEEK membrane. The results reveal that the strong interaction between sulfonic acid group and phosphoric acid group leads to the dissociation of proton and the proton transfer pathway with a low energy barrier is formed. Meanwhile, it is found that the phosphoric acid-functionalized GO can interact well with water molecule and membrane matrix so as to promote the transport of water molecules in the membrane.

AB - Sulfonated poly ether ether ketone (SPEEK) membrane has a great potential in the application of proton exchange membrane fuel cells owing to low cost. However, it suffers from limited proton conductivity. In this paper, quantum chemistry calculation and molecular dynamics simulation are employed to reveal the enhancing mechanism of phosphoric acid-functionalized graphene oxide (GO) on proton conduction in the SPEEK membrane. The results reveal that the strong interaction between sulfonic acid group and phosphoric acid group leads to the dissociation of proton and the proton transfer pathway with a low energy barrier is formed. Meanwhile, it is found that the phosphoric acid-functionalized GO can interact well with water molecule and membrane matrix so as to promote the transport of water molecules in the membrane.

KW - batteries and fuel cells

KW - electrochemistry

KW - membranes

UR - https://www.scopus.com/pages/publications/105001078592

U2 - 10.1002/app.56804

DO - 10.1002/app.56804

M3 - 文章

AN - SCOPUS:105001078592

SN - 0021-8995

VL - 142

JO - Journal of Applied Polymer Science

JF - Journal of Applied Polymer Science

IS - 17

M1 - e56804

ER -

Enhancement of Phosphoric Acid-Functionalized Graphene Oxide on SPEEK Membrane Performance

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