Dynamics of oxygen scattering on ionomer surface in catalyst layer of pefc

M. Nakauchi, T. Mabuchi, I. Kinefuchi, H. Takeuchi, T. Tokumasu

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Molecular dynamics simulations have been performed to clarify the scattering phenomena of oxygen molecules on ionomer thin films, which affect the transport resistance of oxygen in catalyst layers in polymer electrolyte fuel cells. We have evaluated the probability density functions of the translational energy and scattering angle of scattered molecules, and the residence time of oxygen molecules on the ionomer surface. It was found that the energy distributions of scattered oxygen molecules depend on the incident energy and differ from that of thermally equilibrated molecules. On the other hand, the angular distributions are independent of the incident energy, and well reproduced by the diffusive scattering model. These results indicate that oxygen molecules do not accommodate completely with ionomer surface during the collision. We also evaluated the trapping dynamics of oxygen molecules on the ionomer surface in the trajectory calculations. Increasing the normal component of the incident energy results in the longer residence time on the ionomer surface.

Original languageEnglish
Title of host publication16th International Conference on Nanotechnology - IEEE NANO 2016
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages218-221
Number of pages4
ISBN (Electronic)9781509039142
DOIs
Publication statusPublished - 2016 Nov 21
Event16th IEEE International Conference on Nanotechnology - IEEE NANO 2016 - Sendai, Japan
Duration: 2016 Aug 222016 Aug 25

Publication series

Name16th International Conference on Nanotechnology - IEEE NANO 2016

Other

Other16th IEEE International Conference on Nanotechnology - IEEE NANO 2016
CountryJapan
CitySendai
Period16/8/2216/8/25

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics

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    Nakauchi, M., Mabuchi, T., Kinefuchi, I., Takeuchi, H., & Tokumasu, T. (2016). Dynamics of oxygen scattering on ionomer surface in catalyst layer of pefc. In 16th International Conference on Nanotechnology - IEEE NANO 2016 (pp. 218-221). [7751557] (16th International Conference on Nanotechnology - IEEE NANO 2016). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/NANO.2016.7751557