title: Fluorinated imidazoles as proton carriers for water-free fuel cell membranes.
abstract: We propose an alternative new material (2,4,5-trifluoroimidazole impregnated Nafion) for use as a high-temperature, water-free membrane for proton-exchange membrane fuel cells. This material has been tested computationally using molecular dynamics and quantum mechanics techniques, leading to an estimated conductivity of approximately 0.06 S/cm at 177 degrees C. This material overcomes the weakness of the imidazole-impregnated membranes, i.e., the poisoning of the Pt electrode. We find that 2,4,5-trifluoroimidazole binds weakly to platinum surfaces, so poisoning is not expected.
authors.affiliation: Materials and Processing Simulation Center, Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA.
authors.forename: Wei-Qiao
authors.initials: WQ
authors.lastname: Deng
authors.forename: Valeria
authors.initials: V
authors.lastname: Molinero
authors.forename: William A
authors.initials: WA
authors.lastname: Goddard
mesh_terms: D001674:Bioelectric Energy Sources; D004058:Diffusion; D005465:Fluorocarbon Polymers / Q000737:chemistry*; D006845:Hydrocarbons, Fluorinated / Q000737:chemistry*; D007093:Imidazoles / Q000737:chemistry*; D008567:Membranes, Artificial; D008958:Models, Molecular; D011522:Protons
chemical_list: D005465:Fluorocarbon Polymers; D006845:Hydrocarbons, Fluorinated; D007093:Imidazoles; D008567:Membranes, Artificial; D011522:Protons; C040402:perfluorosulfonic acid