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Title: Theoretical studies on membranes and non-platinum catalysts for polymer electrolyte fuel cells

Mechanism of proton transfer among high-density acid groups in the interface between organic and inorganic materials for polymer electrolyte fuel cells has been theoretically examined. It has been clearly shown that the interactions between the phosphate groups at the surface of the inorganic material, zirconium phosphate (ZrP), and the adsorbed water molecules are relatively large and a strong hydrogen-bond network is generated locally. Because of the strong interactions, water molecules can be attached to ZrP and the O–O distance becomes shorter than that in bulk water systems. Because of the short O–O distances and the delocalized charge of each atom, the activation energy of proton transfer at the ZrP surface decreases and causes high proton conductivity even under conditions of high temperature and low humidity. Based on the above studies, the origin of the high proton conductivity of hybrid electrolytes is also discussed. We will also discuss the mechanism of oxygen reduction reaction on non-platinum catalysts such as Ta{sub 3}N{sub 5}.
Authors:
 [1]
  1. Department of Chemical System Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan ushiyama@chemsys.t.u-tokyo.ac.jp (Japan)
Publication Date:
OSTI Identifier:
22499157
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1702; Journal Issue: 1; Conference: ICCMSE 2015: International conference of computational methods in sciences and engineering 2015, Athens (Greece), 20-23 Mar 2015; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ACTIVATION ENERGY; CATALYSTS; DENSITY; ELECTROLYTES; HUMIDITY; HYDROGEN; INTERATOMIC DISTANCES; MEMBRANES; OXYGEN; PLATINUM; PROTON CONDUCTIVITY; PROTON EXCHANGE MEMBRANE FUEL CELLS; PROTONS; STRONG INTERACTIONS; TANTALUM NITRIDES; TEMPERATURE RANGE 0400-1000 K; WATER; ZIRCONIUM PHOSPHATES; ZIRCONIUM PHOSPHIDES