Behavior of hydrogen atom at Nafion-Pt interface

• Main Authors: Tsuda, Muneyuki, Diño, Wilson Agerico, Kasai, Hideaki
• Format: text
• Published: Animo Repository 2005
• Subjects: Proton exchange membrane fuel cells; Anodes; Charge exchange; Density functionals; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/6625
• Institution: De La Salle University

We present a mechanism depicting how a hydrogen atom migrates from a platinum catalyst to a Nafion membrane using ab initio calculations based on density functional theory (DFT). The H atom initially adsorbed on Pt is extracted by the sulfonate group (–SO3−), which is a part of the side chain of Naf...