Conditions Extrêmes et Matériaux : Haute Température et Irradiation

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Igor N.Leontyev, Alexandra B.Kuriganova, Mathieu Allix, Aydar Rakhmatullin, Pavel E.Timoshenko, Olga A.Maslova, Alexey S.Mikheykin, Nina V.Smirnova, 'On the Evaluation of the Average Crystalline Size and Surface Area of Platinum Catalyst Nanoparticles using XRD data', Phys. Stat. Solidi B 1800240 (2018) doi:10.1002/pssb.201800240

In the present work, the effect of grain size distribution on the diffraction profile shape is inspected via analysis of the mutual ratio of Lorentz and Gauss components in pseudo-Voigt function which is used for simulating X-ray profiles of nanoparticles. As established from the plotted dependences, the error in the average Pt nanoparticles size determination reaches 56% and the discrepancy between calculated Pt nanoparticle surface areas attains 60%. Furthermore, the determination error becomes greater with increasing the Lorentz contribution to pseudo-Voigt function, or, in fact, with enlarging particle size distribution. The empirically found electrochemical surface area of Pt/C electrocatalyst is compared with that evaluated from XRD data using the Scherrer formula and particle size distribution data analysis.