Quaternary mixture designs applied to the development of multi-element oxygen electrocatalysts based on the Ln(0.58)Sr(0.4)Fe(0.8)Co(0.2)O(3-delta) system (Ln = La1-x-y-zPrxSmyBaz): Predictive modeling approaches

[EN] The experimental data generated through the optimization of oxygen electrocatalysts based on the perovskite Ln(0.58)Sr(0.4)Fe(0.8)Co(0.2)O(3-delta) system (Ln = La1-x-y-zPrxSmyBaz) have been modeled following different approaches. The main application of these catalysts is as fuel cell (SOFC) cathodes and activation layers on oxygen-transport membranes. Among the different La, Pr and Sm combinations, those containing at a time Sm-La-Ba or alternatively Pr-La-Ba show the lowest polarization resistance values. Within the same substitution degree, Pr-Ba-based compositions have lower electrode resistance than samarium-based ones. The experimental datasets available for the series of materials can be divided into: composition data, structural data (X-ray diffraction patterns), and electrochemical characterization data (electrochemical impedance spectra). Electrochemical characterization was performed for each electrode composition as a function of the operating temperature and oxygen partial pressure. Different ways of reducing the dimensionality of the spectral descriptors (XRD patterns and impedance spectroscopy) were applied based on knowledge-guided and unsupervised approaches. Different material descriptors were studied as input variables in the modeling of the electrochemical properties. (C) 2010 Elsevier B.V. All rights reserved.Funding from Universitat Politècnica de València (grant UPV2007-06), the Spanish Ministry for Science and Innovation (Project ENE-2008-06302), the Helmholtz Association of German Research Centers through the Helmholtz Alliance MEM-BRAIN (Initiative and Networking Fund) and EU through FP7 NASA-OTM Project (NMP3-SL-2009-228701) is kindly acknowledged.Serra Alfaro, JM.; Vert Belenguer, VB. (2011). Quaternary mixture designs applied to the development of multi-element oxygen electrocatalysts based on the Ln(0.58)Sr(0.4)Fe(0.8)Co(0.2)O(3-delta) system (Ln = La1-x-y-zPrxSmyBaz): Predictive modeling approaches. Catalysis Today. 159(1):47-54. https://doi.org/10.1016/j.cattod.2010.06.0194754159