Multiscale simulation approach to investigate the binder distribution in catalyst layers of high-temperature polymer electrolyte membrane fuel cells

A multiscale approach involving both density functional theory (DFT) and molecular dynamics (MD) simulations was used to deduce an appropriate binder for Pt/C in the catalyst layers of high-temperature polymer electrolyte membrane fuel cells. The DFT calculations showed that the sulfonic acid (SO(3)...

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Detalles Bibliográficos
Autores principales: Kwon, Sung Hyun, Lee, So Young, Kim, Hyoung-Juhn, Yim, Sung-Dae, Sohn, Young-Jun, Lee, Seung Geol
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8907236/
https://www.ncbi.nlm.nih.gov/pubmed/35264590
http://dx.doi.org/10.1038/s41598-021-04711-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8907236/
https://www.ncbi.nlm.nih.gov/pubmed/35264590
http://dx.doi.org/10.1038/s41598-021-04711-9

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