biofuels; virtual materials design; self-regeneration; modelling; smart materials; sulphur; fuel cells anode
Stenzel Ole, Pecho Omar, Holzer Lorenz, Neumann Matthias, Schmidt Volker (2017), Big Data for Microstructure-Property Relationships: A Case Study of Predicting Effective Conductivities, in AICHE JOURNAL
, 63(9), 4224-4232.
Steiger Patrick, Delmelle Renaud, Foppiano Debora, Holzer Lorenz, Heel Andre, Nachtegaal Maarten, Kröcher Oliver, Ferri Davide (2017), Structural Reversibility and Nickel Particle stability in Lanthanum Iron Nickel Perovskite-Type Catalysts, in ChemSusChem
, 10(11), 2505-2517.
Holzer L., Pecho O., Schumacher J., Marmet P., Stenzel O., Büchi F. N., Lamibrac A., Münch B. (2017), Microstructure-property relationships in a gas diffusion layer (GDL) for Polymer Electrolyte Fuel Cells, Part I: effect of compression and anisotropy of dry GDL, in Electrochimica Acta
, 227, 419-434.
Holzer L., Pecho O., Schumacher J., Marmet Ph., Büchi F.N., Lamibrac A., Münch B. (2017), Microstructure-property relationships in a gas diffusion layer (GDL) for Polymer Electrolyte Fuel Cells, Part II: pressure-induced water injection and liquid permeability, in Electrochimica Acta
, 241, 414-432.
Holzer L., Stenzel O., Pecho O., Ott T., Boiger G., Gorbar M., de Hazan Y., Penner D., Schneider I., Cervera R., Gasser P. (2016), Fundamental relationships between 3D pore topology, electrolyte conduction and flow properties: Towards knowledge-based design of ceramic diaphragms for sensor applications, in Materials & Design
, 99, 314-327.
Stenzel Ole, Pecho Omar, Holzer Lorenz, Neumann Matthias, Schmidt Volker (2016), Predicting effective conductivities based on geometric microstructure characteristics, in AIChE Journal
, 62(5), 1834-1843.
Burnat Dariusz, Kontic Roman, Holzer Lorenz, Schuler Andreas, Mai Andreas, Heel Andre (2016), SMART catalyst based on doped Sr-titanite for advanced SOFC anodes
, 1(1), EFCF Lucerne, Lucerne 1(1).
Burnat D, Kontic R., Holzer R., Steiger P., Ferri D., Heel A. (2016), Smart material concept: reversible microstructural self-regeneration for catalytic applications, in Journal of Materials Chemistry A
, 4(30), 11939-11948.
Neumann Matthias, Staněk Jakub, Pecho Omar M., Holzer Lorenz, Beneš Viktor, Schmidt Volker (2016), Stochastic 3D modeling of complex three-phase microstructures in SOFC-electrodes with completely connected phases, in Computational Materials Science
, 118, 353-364.
Burnat D., Nurk G., Holzer L., Kopecki M., Heel A., Lanthanum doped strontium titanate - ceria anodes: Deconvolution of impedance spectra and relationship with composition and microstructure, in Journal of Power Sources
This interdisciplinary activity focuses on the evaluation of multiphase microstructures for a novel smart catalyst concept in the anode compartment of a fuel cell system.The drawback of currently used state-of-the-art nickel cermet catalysts is the general lack of microstructural stability against high temperature, humidity, varying oxygen partial pressures. In addition, sulphur, which is present in fossil but also in renewable fuels as addressed in the joint project, immediately harm the Ni-catalyst and cause an irreversible degradation, if exposed to sulphur for longer times. Microstructural and catalytic degradation becomes obvious by aggregation, particle growth and loss of active surface area and results in an increase of the polarisation resistance and lowers the electrochemical activity. Furthermore, percolation of the catalytic active nickel phase is limited and the electron pathways are interrupted by particle growth, what again affects the ohmic resistance of the fuel cell. To overcome these major degradation effects a new material-based strategy is applied. An anode material with an innovative “smart” effect is applied, where activity and performance will be recovered by the material intrinsic functionality to regenerate itself under an externally triggered stimulus. A commonly harmful redox cycle with transient pO2 operating conditions is actively used to self regenerate the anode catalyst. For this a fundamental understanding of the complex reaction mechanism and the relationships between performance and topological parameters on micro- and nanoscales is needed. Sophisticated microstructure analysis (nanotomography, TEM, image analysis) and numerical modelling and simulation will be combined with detailed electrochemical investigations.