Development of Deep Learning Simulation and Density Functional Theory Framework for Electrocatalyst Layers for PEM Electrolyzers

Development of Deep Learning Simulation and Density Functional Theory Framework for Electrocatalyst Layers for PEM Electrolyzers

The electrocatalyst layers (ECLs) in polymer electrolyte membrane (PEM) electrolyzers are fundamentally comprised of IrOx catalysts, support material, and an ionomer. Their stability is critically dependent on structure and composition, necessitating a thorough understanding of ionization potential...

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Bibliographic Details
Main Authors: Jaydev Zaveri, Shankar Raman Dhanushkodi, Michael W. Fowler, Brant A. Peppley, Dawid Taler, Tomasz Sobota, Jan Taler
Format: Article
Language:English
Published: MDPI AG 2025-02-01
Series:Energies
Subjects:
computational chemistry
deep learning simulations
artificial neural network
density functional theory
electrocatalyst
Online Access:https://www.mdpi.com/1996-1073/18/5/1022

Internet

https://www.mdpi.com/1996-1073/18/5/1022

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