Abstract
Using the one-atom theory (OA), the atomic state of Pt-electrocatalyst with fcc structure was determined as follows: [Xe] (5d n)6.48 (5d c)2.02 (6s c)1.48(6s f)0.02. The atomic states of this metal with hcp and bcc structures of primary characteristic crystals and liquid state was also studied. According to its atomic states, the relationship between the atomic states and crystalline structure, catalytic performance and conductivity was explained qualitatively. The potential curve, the temperature dependence of bulk modulus and linear thermal expansion coefficient of fcc-Pt were calculated quantitatively.
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References
Radmilovic V, Gasteiger H A, Ross P N. Structure and chemical composition of a supported Pt-Ru electrocatalyst for methanol oxidation. J Catalysis, 1995, 154: 98–106
Lizcano-Valbuena W H, Paganin V A, Leite C A P. Catalysts for DMFC: Relation between morphology and electrochemical performance. Electrochimica Acta, 2003, 48: 3869–3878
Brankovic S R, Wang J X, Zhu Y, et al. Electrosorption and catalytic properties of bare and Pt modified single crystal and nanostructured Ru surface. J Electroanalyt Chem, 2002, 524: 231–241
Hou Z J, Yu H M, Yi B L, et al. The development of carbon monoxide tolerant catalyst for proton exchange membrane fuel cell. Electrochem, 2000, 6(4): 379–384
Xie Y Q. The framework of metallic materials systematic science. Mater Rev, 2001, 15(4): 12–15
Xie Y Q, Ma L Y. The theoretical lattice parameter of valence electron structure of crystal. J Cent South Inst of Mining and Metall, 1985, 1: 1–10
Xie Y Q. A new potential function with many-atom interactions in solid. Sci China Ser A-Math, 1993, 36(1): 90–99
Xie Y Q. One atom self-consistency method for determining electronic structure of crystal. Chin Sci Bull, 1992, 37(16): 1529–1532
Xie Y Q. Atomic energies and Gibbs energy functions of Ag-Cu alloys. Sci China Ser E-Eng Mater Sci, 1998, 41(2): 146–156
Xie Y Q, Zhang X D. Atomic volumes and volume functions for Ag-Cu alloys. Sci China Ser E-Eng Mater Sci, 1998, 41(2): 157–168
Xie Y Q, Zhang X D. Electronic structure of Ag-Cu alloys. Sci in China Ser E-Eng Mater Sci, 1998, 41(3): 225–236
Xie Y Q, Zhang X D. Phase diagram and thermodynamic properties of Ag-Cu alloys. Sci China Ser E-Eng Mater Sci, 1998, 41(4): 348–356
Dinsdale A T. SGTE data for pure elements. CALPHAD, 1991, 15(4): 317–425
American Institute of Physics, American Institute of Physics Handbook. 3rd ed. New York: McGraw-Hill Book Company, 1972. 4–123
Xie Y Q, Zhang X D, Chen J Y. Electronic structure and properties of pure Cobalts. Sci China Ser. E-Eng Mater Sci, 1996, 28(4): 224–231
Zhang Y H, Li X H, Wu X M. Enhancing activity of platinum catalyst for PEMFC oxygen reduction by alloying. Chin J Powder Sources, 2004, 28(8): 491–493
Constanagna P, Srinivasan S M. Quantum jumps in the PEMC science and technology from the 1960s to the year 2000: Part I. Fundamental scientific aspect, J Powder Sources, 2001, 102: 242–252
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Peng, H., Xie, Y. Atomic states and properties of Pt-electrocatalyst. SCI CHINA SER E 49, 291–296 (2006). https://doi.org/10.1007/s11431-006-0291-3
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DOI: https://doi.org/10.1007/s11431-006-0291-3