| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advanced Materials for Energy Conversion and Storage 2024
|
| Presentation Title |
Effect of Aggregate Structures of Carbon Support on Electrode Reaction Activity in Cathode Catalyst Layer of Polymer Electrolyte Fuel Cells: Reactive Molecular Dynamics Simulation |
| Author(s) |
Kaito Mori, Tetsuya Nakamura, Shogo Fukushima, Yixin Su, Yuta Asano, Yusuke Ootani, Nobki Ozawa, Momoji Kubo |
| On-Site Speaker (Planned) |
Kaito Mori |
| Abstract Scope |
Polymer electrolyte fuel cells (PEFCs) are expected to be used for automobiles because it does not emit CO2 during operation. For more popularization of a fuel cell vehicle, its higher output is required.
The output of PEFC depends on the cathode catalyst layer (CL) composing of carbon supports, Pt nanoparticles (Pt NPs), ionomers and water.
To design a high-performance cathode CL, it is necessary to control the carbon support structures and distribution of ionomer and water in the CL to improve proton conductivity and oxygen diffusion.
In this study, we performed reactive molecular dynamics simulations to propose the theoretical design principles toward high proton conductivity and high oxygen diffusivity.
The effect of the aggregate structure of the carbon supports on ionomer distribution and water adsorption on the Pt NPs were analyzed to optimize the aggregate structures of carbon supports. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Energy Conversion and Storage, Modeling and Simulation |