Pt-Based Catalysts for Low Temperature Fuel Cells: Computational Prediction and Experimental Validation(3/3)

In this project, the research of 1-Dimensional (1D) catalysts toward oxygen reduction reaction (ORR) or ethanol oxidation reaction (EOR) for low temperature fuel cells will be investigated on the basis of first principle calculation. Because under the practical operation conditions, the 1D Pt nanomaterials can have better resistance than the nanoparticles to the dissolution, agglomeration and Ostwald ripening, the Pt or Pd-based 1D catalysts with graphene or Ti〇2 supports will be prepared by formic acid reduction method without the use of surfactants and templates, which can benefit the commercialization of fuel cells.In phase one, graphene will be used as the supports to prepare Pt or Pd-based 1D nanomaterials. In phase two, TiO2-supported Pt or Pd-based 1D nanomaterials will be prepared and TiO2 will be doped to modify its electron conductivity. Besides preparation, characterization and calculation of materials will be also studied. X-ray absorption spectroscopy performed in National Synchrotron Radiation Research Center will be applied to characterize the structures (core/shell or homogeneous), coordination numbers, bond length of 1D nanomaterials. The total numbers of unoccupied d-states for alloys extracted from the data of X-ray absorption near edge structure will be applied to investigate their electronic modification effect on the oxophilicity. First principle calculation and density function theory (DFT) will be applied to calculate the density of state (DOS), surface structure, and binding energy of the 1D nanomaterials. Furthermore, the phase three will focus on the preparation of membrane electrode assembly (MEA) of the 1D catalysts in order to improve their performance based on the practical application.The morphology - activity relationship of 1D nanomaterials will be elucidated on the basis of experimental measurement and computational validation. The target of this project is to design and prepare 1D catalysts with comparable activity to the commercial ones and to study their reaction mechanism. For the industrial applications, the preparation of novel catalysts can help the commercialization of fuel cells. The experimental results will make some contributions to the fields of materials science and technology, surface chemistry, catalysis and fuel cells.