Molecular dynamics modeling in catalyst layer development for PEM fuel cell

L Fan, J Wang, DFR Diaz, L Li, Y Wang… - Progress in Energy and …, 2025 - Elsevier
Catalyst layers (CLs) are a key component of proton exchange membrane (PEM) fuel cells,
where electrochemical reactions occur. The future development of catalysts, catalyst …

Materials Strategies Tackling Interfacial Issues in Catalyst Layers of Proton Exchange Membrane Fuel Cells

M Tang, H Yan, X Zhang, Z Zheng… - Advanced Materials, 2023 - Wiley Online Library
The most critical challenge for the large‐scale commercialization of proton exchange
membrane fuel cells (PEMFCs), one of the primary hydrogen energy technologies, is to …

Boosting the Performance of Low-Platinum Fuel Cells via a Hierarchical and Interconnected Porous Carbon Support

Y Luo, K Li, Y Hu, T Chen, J Hu, J Feng… - ACS Applied Materials …, 2024 - ACS Publications
The design of a low-platinum (Pt) proton-exchange-membrane fuel cell (PEMFC) can reduce
its high cost. However, the development of a low-Pt PEMFC is severely hindered by the high …

Probing Impact of Support Pore Diameter on Three-phase Interfaces of Pt/C Catalysts by Molecular Dynamic Simulation

Q Xiang, S Jiang, J Liu, X Chen, L Li… - ACS Applied Materials & …, 2025 - ACS Publications
Investigating how the size of carbon support pores influences the three-phase interface of
platinum (Pt) particles in fuel cells is essential for enhancing catalyst utilization. This study …

Optimizing Ionomer Coverage in Solid Carbon-Supported Catalyst toward High Performance for Proton Exchange Membrane Fuel Cells

D Sun, Z Wang, M Jin, J Liu, X Zhang… - ACS Applied Energy …, 2024 - ACS Publications
The three-phase interface comprising the carbon support, ionomer, and Pt nanoparticles
was the main place where the cathode oxygen reduction reaction (ORR) occurred …

Boosting the power density of direct borohydride fuel cells to> 600 mW cm− 2 by cathode water management

W Jiang, F Wan, Q Wan, E Zhang, Z Chen, Y Zhang… - Applied Energy, 2025 - Elsevier
Direct borohydride fuel cell (DBFC) has garnered significant interest due to its high energy
density. However, the power density remains insufficient for commercial applications. Lots of …

Insight into oxygen diffusion mechanism in ionomer film on catalyst surface with varying perfluorosulfonic acid and water contents

J You, H Li, Y Feng, X Cheng, L Luo, D Yang… - Journal of Materials …, 2024 - pubs.rsc.org
Classic molecular dynamics (MD) simulations were performed to explore the effects of
perfluorosulfonic acid (PFSA) polymers and water content on the nanostructures of ionomer …

Enhanced stability and activity of platinum-based catalyst using iron-nitrogen co-doped graphene as support for oxygen reduction reaction

L Fu, M Li, T Pan, X Li, X Zhan, X Tong, C Hu… - International Journal of …, 2024 - Elsevier
The durability of platinum-based catalysts is often compromised by the dissolution and
detachment of platinum particles during extended operation in proton exchange membrane …

Mechanisms of oxygen transport resistance of mesoporous carbon-supported catalysts in fuel cells

KB An, WZ Fang, ZH Xuan, GR Zhao, H Ling… - Journal of Materials …, 2025 - pubs.rsc.org
Understanding the mechanisms of oxygen transport resistance of mesoporous carbon
catalysts in proton exchange membrane fuel cells (PEMFCs) is crucial to improve platinum …

Microenvironment-regulated dual-hydrophilic coatings for glaucoma valve surface engineering

S Zhang, Y Liu, L Li, B Wang, Z Zhang, S Chen… - Acta Biomaterialia, 2024 - Elsevier
Glaucoma valves (GVs) play an essential role in treating glaucoma. However, fibrosis after
implantation has limited their long-term success in clinical applications. In this study, we …