Insight into oxygen diffusion mechanism in ionomer film on catalyst surface with varying perfluorosulfonic acid and water contents
Jia-Bin You, Huiyuan Li, Yong Feng, Xiaojing Cheng, Liuxuan Luo, Daihui Yang, Guanghua Wei, Shuiyun Shen, Xiaohui Yan, Junliang Zhang
Abstract
Classic molecular dynamics (MD) simulations were performed to explore the effects of perfluorosulfonic acid (PFSA) polymers and water content on the nanostructures of ionomer film on Pt/C surfaces and the corresponding oxygen diffusion mechanisms.
Topics & Concepts
IonomerDiffusionCatalysisOxygenPolymerChemical engineeringNanostructureMolecular dynamicsMaterials scienceChemistryChemical physicsPolymer chemistryNanotechnologyComposite materialOrganic chemistryComputational chemistryCopolymerThermodynamicsPhysicsEngineeringFuel Cells and Related MaterialsMetal and Thin Film MechanicsElectrocatalysts for Energy Conversion