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Development and Optimization of Cathode Materials for Solid Oxide Fuel Cells using Synchrotron
Techniques

 

In this project we want to develop and optimize new cathode materials for solid oxide fuel cells (SOFC) working at intermediate temperatures (IT-SOFC). The main scientific objective is to find electrodes that display high electronic and ionic conductivity, good chemical and thermal behavior, as well as good compatibility with the other cell components at operation temperatures below 800 degrees Celsius. These issues are a major challenge for materials science and a real bottleneck for the SOFC technology. The project is therefore directly related to several major research topics and initiatives of the BMBF, namely - Grundlagenforschung Energie 2020+ - , - Nationaler Entwicklungsplan Elektromobilität - , - Forschung für nachhaltige Entwicklungen - , and - Werkstoffinnovationen - eine Zukunftsinvestition - (WING). In addition, the proposed research is directly related to the Sustainable Development Strategy (FP7) of the European commission.

  

Bilateral collaboration  between the Centro Atomico in Bariloche, Argentina, and our group

In collaboration with Prof. Jürgen Eckert and Dr. Lars Giebeler (IKM)

Funding: International Bureau of the BMBF

       

 

Structure, kinetics and ordering in model materials for lithium-ion batteries

 

This project addresses the complex relationship between Li-kinetics, ordering phenomena, structure and electrochemical behavior of Li-ion battery materials. Single crystalline model compounds will be studied by means of Nuclear magnetic Resonance (NMR), x-ray diffraction as well as theoretical modelling. We will combine the two complementary experimental probes on the same samples in order to arrive at a comprehensive understanding of possible Li-ordering and its impact on the Li mobility in Li battery materials. The use of single crystals enables to study Li-ordering in detail, especially by single crystal diffraction experiments using high-energy synchrotron radiation. Besides, single crystals can be treated electrochemically along different crystal axes involving different Li diffusion mechanisms that have an impact on the crystal structure. The melting of Li-ordering and the following Li-ion dynamics will be traced by x-ray diffraction and in particular NMR, which is a powerful tool for probing dynamic properties of Li materials. In operando studies are planed for both techniques. Crystal structures and superstructures of charge and/or spin ordering will be studied by high precision total energy calculations on the basis of LSDA, GGA and LSDA+U density functionals. Moreover, adiabatic potential surfaces for the motion of Li ions will be studied by carefully relaxing the structures using forces on the basis of the above mentioned density functionals.

 

In collaboration with Dr. Hans-Joachim Grafe (IFF) and Prof. Jeroen van den Brink (ITF)

Funding: DFG Priority Programme 1473, Materials with New Design for Improved Lithium Ion Batteries