FASTCELL

Multiscale Methods for Segregation Phenomena in Solid Oxide Fuel Cell Materials

 Partecipanti

Mappa

 Word cloud

Esplora la "nuvola delle parole (Word Cloud) per avere un'idea di massima del progetto.

 Obiettivo del progetto (Objective)

'Solid Oxide Fuel Cell (SOFC) technology is expected to play a major role in future sustainable energy strategies. However, there are still major technological challenges concerning cell lifetime and systems costs, both of which need to be improved by factors 5 to 20. In view of the latter the goals of the project are to: 1. improve the durability of SOFC stacks by supplying a broad understanding of degradation processes in steady-state and transient operation; 2. understand the behavior of oxygen reduction and incorporation at the cathode and its link to segregation in order to achieve high power density SOFC cells; 3. guide the search and design of novel cathode materials and optimization of microstructures.

During this proposal I wish to develop coupled atomistic-continuum framework in order to model SOFC cathodes. The framework couples concurrently continuum computations within materials bulk with Kinetic Monte Carlo method at interfaces between different phases and it has the speed of continuum computations and the accuracy of kinetic modeling. Since atomistic simulation of realistically sized cathodes will be possible, significant insights on the behavior of oxygen reduction, its link with segregation and time dependent degradation phenomena are expected. A key element of this proposal is the close interaction between modelers, experimentalists and industrial partners. The new insight will be used for computer-based optimization of cell efficiency and durability. This grant will employ a team leader, one PhD student, one part time advanced undergraduate and it will be integrated with classwork. The project will be partially funded (about 60%) by the U. Heidelberg.'

Introduzione (Teaser)

Ever-growing demands for fuel and electric power pose a worldwide challenge. Researchers have introduced novel methods for studying solid fuel oxide cells (SOFCs) to help meet these needs sustainably.

Descrizione progetto (Article)

SOFCs are regarded as highly promising devices for fuel generation and power production.

They work cleanly and efficiently with both renewable and traditional sources of energy.

An additional advantage is their effectiveness for converting the chemical energy in a fuel into electrical energy.The EU-funded 'Multiscale methods for segregation phenomena in solid oxide fuel cell materials' (FASTCELL) project evaluated advanced methods used for studying the segregation of impurities in SOFC cathodes.

Segregation at the surface is important because it has an impact on the performance of the SOFC.The researchers looked at oxygen reactions at the cathode and their link to segregation.

They looked for, and designed, new cathode materials to improve the SOFCs, and also developed algorithms to optimise microstructures.This project advanced the understanding of chemisorption on surfaces, and of relevant processes in electrochemical spectroscopy experiments.

It also introduced several new tools to reduce errors.

A paper published in 'Nature Chemistry' gave an account of the physical chemistry of the reactions in a fuel cell that took place on a nanoscale tip.Besides their relevance to the fuel and power industry, the results are applicable to applied catalysis of multiscale problems and catalysis of materials.

As an added bonus, the project outcomes may also benefit scientists working in applied mathematics, materials science and electrochemistry.