Optimizing Stucture of Porous Electrode Catalyst Layers

Polymer-electrolyte fuel cells (PEFCs) have emerged as a promising solution to the overarching energy problem of replacing harmful energy sources and paving the way towards a clean future. PEFCs offer pathways for high energy densities and efficiencies, that make them especially viable for transportation and heavy-duty vehicles. The bulk of the cost of the PEFC is the catalyst layers, comprised of platinum embedded on a carbon support with Nafion, a binder that also acts as a proton conductor. Although this technology has existed for decades, optimization of the structure and performance of the PEFC remains limited.

In this talk, we outline our approach to predicting and verifying the properties of the manufacturing of catalyst layers. First, we begin with discussing an aggregation simulation in the ink stage where the materials are initially dispersed in a solvent. This involves a particle interaction collision algorithm that calculates the size distribution of the particles, which can be verified using experimental size techniques. The results of the aggregation modeling are fed into models to predict the structure of the catalyst layers and determine porosities. The insights gained from these considerations will enable efficient design of future catalyst layers.