S053011 PEFC触媒層のionomer内における酸素拡散に関する分子論的研究([S05301]次世代電池のナノ・マイクロフルイディクス(1))

Abstract

In the Polymer electrolyte membrane fuel cell (PEFC) cathode catalyst layer, the structure of ionomer with which the catalyst is covered is very important on the point of transferring protons to the catalytic surface and oxygen permeation to the surface. But the mechanism of oxygen permeation through an ionomer was not analyzed in detail because it is too small to research by experiment. Moreover molecular dynamics simulation of the catalyst layer and oxygen permeability has not yet researched. In this research, we constructed the system including PFSA membrane, water, oxonium ion and platinum layers by using molecular dynamics study and researched about the effect of the water content of the ionomer on the structure of the ionomer and the permeability of the oxygen molecule. As the result, we found that PFSA and water molecule gathered on the platinum catalyst surface, the oxygen permeability decreased as water content rate increased in the ionomer.