Title : Aqueous Nafion-Platinum interface for PEM fuel cells; An Ab-Initio perspective
Abstract:
Proton exchange membrane fuel cells are a promising clean energy technology capable of generating electricity with high efficiency and zero emissions. Understanding the fundamental interactions at the membrane-electrode interface is crucial for optimizing performance and durability. This study, using a suitable atomistic model for the Nafion monomer together with the hydrated platinum surface, investigates the impact of Nafion orientation and distance on the electron charge and ion transfer at the interface between platinum and the hydrated membrane. Using the DFT+U computational method, we demonstrate that Nafion's orientation and degree of proximity significantly influence the charge transfer kinetics and interfacial stability. Optimal Nafion positioning enhances proton transport and preserves membrane integrity, while suboptimal configurations hinder performance and accelerate membrane degradation. These findings provide essential insights for designing high-efficiency and durable fuel cells in other contexts.
