Enhancement of Phosphoric Acid-Functionalized Graphene Oxide on SPEEK Membrane Performance
Juan Li
School of Energy Science and Engineering, Harbin Institute of Technology, Harbin, China
Contribution: Data curation (lead), Investigation (lead), Methodology (lead), Writing - original draft (lead)
Search for more papers by this authorJiang Liu
School of Energy Science and Engineering, Harbin Institute of Technology, Harbin, China
Zhengzhou Research Institute of Harbin Institute of Technology, Zhengzhou, China
Contribution: Investigation (equal), Writing - review & editing (equal)
Search for more papers by this authorCorresponding Author
Shuai Wang
School of Energy Science and Engineering, Harbin Institute of Technology, Harbin, China
Zhengzhou Research Institute of Harbin Institute of Technology, Zhengzhou, China
Correspondence:
Shuai Wang ([email protected])
Contribution: Supervision (lead), Writing - review & editing (lead)
Search for more papers by this authorYao Xu
School of Automotive and Transportation Engineering, Hefei University of Technology, Hefei, China
Contribution: Writing - review & editing (equal)
Search for more papers by this authorJuan Li
School of Energy Science and Engineering, Harbin Institute of Technology, Harbin, China
Contribution: Data curation (lead), Investigation (lead), Methodology (lead), Writing - original draft (lead)
Search for more papers by this authorJiang Liu
School of Energy Science and Engineering, Harbin Institute of Technology, Harbin, China
Zhengzhou Research Institute of Harbin Institute of Technology, Zhengzhou, China
Contribution: Investigation (equal), Writing - review & editing (equal)
Search for more papers by this authorCorresponding Author
Shuai Wang
School of Energy Science and Engineering, Harbin Institute of Technology, Harbin, China
Zhengzhou Research Institute of Harbin Institute of Technology, Zhengzhou, China
Correspondence:
Shuai Wang ([email protected])
Contribution: Supervision (lead), Writing - review & editing (lead)
Search for more papers by this authorYao Xu
School of Automotive and Transportation Engineering, Hefei University of Technology, Hefei, China
Contribution: Writing - review & editing (equal)
Search for more papers by this authorFunding: The work was supported by Hefei University of Technology (JZ2022HGQA0132), Anhui Province (2022A576).
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.
Open Research
Data Availability Statement
The data that support the findings of this study are availablefrom the corresponding author upon reasonable request.
References
- 1 N. Kimiaie, K. Wedlich, and M. Hehemann, “Results of a 20000 h Lifetime Test of a 7kW Direct Methanol Fuel Cell (DMFC) Hybrid System Degradation of the DMFC Stack and the Energy Storage,” Energy & Environmental Science 7, no. 9 (2014): 3013–3025.
- 2 C. Luo, H. L. Choo, H. Ahmad, and P. N. Sivasankaran, “Pore Parameter Selection for Fused Deposition Modeling of Gas Diffusion Layers in Proton Exchange Membrane Fuel Cells,” Journal of Applied Polymer Science 141 (2024): e55244.
- 3 A. Haragirimana, N. Li, Z. Hu, and S. Chen, “A Facile, Effective Thermal Crosslinking to Balance Stability and Proton Conduction for Proton Exchange Membranes Based on Blend Sulfonated Poly(Ether Ether Ketone)/Sulfonated Poly(Arylene Ether Sulfone),” International Journal of Hydrogen Energy 46, no. 29 (2021): 15866–15877.
- 4 B. P. Tripathi and V. K. Shahi, “Organic-Inorganic Nanocomposite Polymer Electrolyte Membranes for Fuel Cell Applications,” Progress in Polymer Science 36, no. 7 (2011): 945–979.
- 5 M. A. Imran, G. He, X. Wu, X. Yan, T. Li, and A. S. Khan, “Fabrication and Characterization of Sulfonated Polybenzimidazole/Sulfonated Imidized Graphene Oxide Hybrid Membranes for High Temperature Proton Exchange Membrane Fuel Cells,” Journal of Applied Polymer Science 136, no. 34 (2019): 47892, https://doi.org/10.1002/app.47892.
- 6 H. Wu, X. Shen, and T. Xu, “Sulfonated Poly (Ether Ether Ketone)/Amino-Acid Functionalized Titania Hybrid Proton Conductive Membranes,” Journal of Power Sources 213 (2012): 83–92.
- 7 Y. He, C. Tong, and L. Geng, “Enhanced Performance of the Sulfonated Polyimide Proton Exchange Membranes by Graphene Oxide: Size Effect of Graphene Oxide,” Journal of Membrane Science 458 (2014): 36–46.
- 8 A. Enotiadis, K. Angjeli, N. Baldino, I. Nicotera, and D. Gournis, “Graphene-Based Nafion Nanocomposite Membranes: Enhanced Proton Transport and Water Retention by Novel Organo-Functionalized Graphene Oxide Nanosheets,” Small 8, no. 21 (2012): 3338–3349.
- 9 M. R. Karim, K. Hatakeyama, T. Matsui, et al., “Graphene Oxide Nanosheet With High Proton Conductivity,” Journal of the American Chemical Society 135, no. 22 (2013): 8097–8100.
- 10 G. Kritikos, R. Pant, and S. Sengupta, “Nanostructure and Dynamics of Humidified Nafion/Graphene-Oxide Composites via Molecular Dynamics Simulations,” Journal of Physical Chemistry C 122, no. 40 (2018): 22864–22875.
- 11 J. A. Asensio, S. Borrós, and P. Gómez-Romero, “Proton-Conducting Membranes Based on Poly (2, 5-Benzimidazole) (ABPBI) and Phosphoric Acid Prepared by Direct Acid Casting,” Journal of Membrane Science 241, no. 1 (2004): 89–93.
- 12 K. Suzuki, Y. Iizuka, M. Tanaka, and H. Kawakami, “Phosphoric Acid-Doped Sulfonated Polyimide and Polybenzimidazole Blend Membranes: High Proton Transport at Wide Temperatures Under Low Humidity Conditions Due to New Proton Transport Pathways,” Journal of Materials Science 22, no. 45 (2012): 23767–23772.
- 13 L. Vilčiauskas, M. E. Tuckerman, G. Bester, S. J. Paddison, and K. D. Kreuer, “The Mechanism of Proton Conduction in Phosphoric Acid,” Nature Chemistry 4, no. 6 (2012): 461–466.
- 14 H. Zhang, Q. Hu, and X. Zheng, “Incorporating Phosphoric Acid-Functionalized Polydopamine Into Nafion Polymer by In Situ Sol-Gel Method for Enhanced Proton Conductivity,” Journal of Membrane Science 570 (2019): 236–244.
- 15 N. Lukasheva, “Structure of Polymer–Acid Complexes in Solution and Crystal-Solvate Phases of Rigid-Rod Heterocyclic Polymer-Poly (p-Phenylene Benzobisoxasole),” Polymer 52, no. 6 (2011): 1458–1468.
- 16 B. G. Choi, Y. S. Huh, Y. C. Park, D. H. Jung, W. H. Hong, and H. Park, “Enhanced Transport Properties in Polymer Electrolyte Composite Membranes With Graphene Oxide Sheets,” Carbon 50, no. 15 (2012): 5395–5402.
- 17 C. Xu, Y. Cao, and R. Kumar, “A Polybenzimidazole/Sulfonated Graphite Oxide Composite Membrane for High Temperature Polymer Electrolyte Membrane Fuel Cells,” Journal of Materials Science 21, no. 30 (2011): 11359–11364.
- 18 B. Zhang, Y. Cao, and S. Jiang, “Enhanced Proton Conductivity of Nafion Nanohybrid Membrane Incorporated With Phosphonic Acid Functionalized Graphene Oxide at Elevated Temperature and Low Humidity,” Journal of Membrane Science 518 (2016): 243–253.
- 19 Z. Rao, M. Lan, D. Zhu, et al., “Synergistically Promoted Proton Conduction of Proton Exchange Membrane by Phosphoric Acid Functionalized Carbon Nanotubes and Graphene Oxide,” Journal of Membrane Science 659 (2022): 120810.
- 20 M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian 09, Revision B.01 (Wallingford, CT: Gaussian, 2010).
- 21 Y. Hu, S. Wang, G. Gao, and Y. He, “The Degradation Effect on Proton Dissociation and Transfer in Perfluorosulfonic Acid Membranes,” Physical Chemistry Chemical Physics 24, no. 5 (2022): 3007–3016.
- 22 F. B. van Duijneveldt, J. G. C. M. van Duijneveldt-van de Rijdt, and J. H. van Lenthe, “State-of-the-Art in Counterpoise Theory,” Chemical Reviews 94 (1994): 1873–1885.
- 23 R. Pant, M. Kumar, and A. Venkatnathan, “Quantum Mechanical Investigation of Proton Transport in Imidazolium Methanesulfonate Ionic Liquid,” Journal of Physical Chemistry C 121, no. 13 (2017): 7069–7080.
- 24 G. Bahlakeh, M. Nikazar, M. Hafezi, E. Dashtimoghadam, and M. M. Hasani-Sadrabadi, “Molecular Dynamics Simulation Study of Proton Diffusion in Polymer Electrolyte Membranes Based on Sulfonated Poly (Ether Ether Ketone),” International Journal of Hydrogen Energy 37, no. 13 (2012): 10256–10264.
- 25 A. Lerf, H. He, M. Forster, and J. Klinowski, “Structure of Graphite Oxide Revisited,” Journal of Physical Chemistry. B 102, no. 23 (1998): 4477–4482.
- 26 T. T. Pham, H. T. Nguyen, C. D. Phung, et al., “Targeted Delivery of Doxorubicin for the Treatment of Bone Metastasis From Breast Cancer Using Alendronate-Functionalized Graphene Oxide Nanosheets,” Journal of Industrial and Engineering Chemistry 76 (2019): 310–317.
- 27 T. Kim, Y. Kwon, J. Lee, et al., “Development of Hydrophilicity on the Proton Exchange Using Sulfonic Acid on PEEK in the Presence of Water: A Density Functional Theory Study,” Theoretical Chemistry Accounts 136 (2017): 1–11.
- 28 M. Hermus, J. Scheifers, R. Touzani, and B. Fokwa, “Electronic Pseudogap-Driven Formation of New Double-Perovskite-Like Borides Within the Sc2 Ir 6–x Tx B (T=Pd, Ni; x = 0–6) Series,” Inorganic Chemistry 54, no. 8 (2015): 4056–4063.
- 29 G. Brunello, S. G. Lee, S. Jang, and Y. Qi, “A Molecular Dynamics Simulation Study of Hydrated Sulfonated Poly(Ether Ether Ketone) for Application to Polymer Electrolyte Membrane Fuel Cells: Effect of Water Content,” Journal of Renewable and Sustainable Energy 1, no. 3 (2009): 33101.
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