Designing UiO-66-based superprotonic conductor with the highest metal–organic framework based proton conductivity

S Mukhopadhyay, J Debgupta, C Singh… - … applied materials & …, 2019 - ACS Publications
Metal–organic framework (MOF) based proton conductors have received immense
importance recently. The present study endeavors to design two post synthetically modified …

Highly tough, degradable, and water-resistant bio-based supramolecular plastics comprised of cellulose and tannic acid

H Sun, X Fang, Y Zhu, Z Yu, X Lu, J Sun - Journal of Materials …, 2023 - pubs.rsc.org
It is challenging to fabricate high-performance degradable plastics that simultaneously
possess high mechanical strength, satisfactory water resistance and rapid degradation …

Coarse-grained molecular dynamics simulation of perfluorosulfonic acid polymer in water–ethanol mixtures

AT Kuo, S Urata, K Nakabayashi, H Watabe… - …, 2021 - ACS Publications
The aggregation behavior of perfluorosulfonic acid (PFSA) ionomers in a solvent is crucial
for the fabrication of catalyst inks for fuel cell applications. In this study, we extended a …

Hydrogen permeation in hydrated perfluorosulfonic acid polymer membranes: effect of polymer crystallinity and equivalent weight

K Takeuchi, AT Kuo, T Hirai, T Miyajima… - The Journal of …, 2019 - ACS Publications
Gas permeation through proton exchange membranes affects a fuel cell's electrochemical
performance. To understand the gas permeation mechanism, gas permeability and wide …

Quantitatively predicting the mechanical behavior of elastomers via fully atomistic molecular dynamics simulation

Z Zhang, Y Wang, P Liu, T Chen, G Hou, L Xu, X Wang… - Polymer, 2021 - Elsevier
Employing computer simulation to accurately and quantitatively predict the mechanical
properties of polymeric materials is a long-standing challenge. Herein, we consider two …

Mechanical behavior of a hydrated perfluorosulfonic acid membrane at meso and nano scales

C Feng, Y Li, K Qu, Z Zhang, P He - RSC advances, 2019 - pubs.rsc.org
Perfluorosulfonic acid (PFSA) is widely used as the membrane material for proton-exchange
membrane fuel cells, and its mechanical properties directly affect the stability and the life of …

Molecular Dynamics Simulation Studies on the Micromorphology and Proton Transport of Nafion/Ti3C2Tx Composite Membrane

ZY Han, SP Pei, CY Yu, YF Zhou - Chinese Journal of Polymer Science, 2024 - Springer
The perfluorosulfonic acid (PFSA) membrane doped with two-dimensional conductive filler
Ti3C2T x is a fuel cell proton exchange membrane with high application potential …

Exploring the effect of pendent side chain length on the structural and mechanical properties of hydrated perfluorosulfonic acid polymer membranes by molecular …

AT Kuo, K Takeuchi, A Tanaka, S Urata, S Okazaki… - Polymer, 2018 - Elsevier
The side chain (SC) length of perfluorosulfonic acid (PFSA) reportedly influences the proton
conductivity and mechanical strength of the membranes in the application of proton …

Nucleation and growth of cavities in hydrated Nafion membranes under tensile strain: a molecular dynamics study

W Gonçalves, T Mabuchi… - The Journal of Physical …, 2019 - ACS Publications
Molecular dynamics simulations are performed to investigate the nucleation and growth of
cavities in a hydrated Nafion membrane under mechanical deformation. The simulation …

Understanding the mechanism of hydrogen transport in imidazolyl polymers doped Nafion membranes via molecular dynamics simulations: Case of PVMZ/Nafion

Z Han, S Pei, C Yu, Y Zhou - International Journal of Hydrogen Energy, 2024 - Elsevier
Decreasing gas penetration has noticeable effects on the durability and performance of
Nafion based proton exchange membranes (PEMs). Experimental studies showed that …