Material platform Oxides
Material platform Polymers
Material platform Thiophosphates
Method platform Characterization
Method platform Theory and Data
Accompanying project FestBatt-Coordination
O1 - Forschungszentrum Jülich GmbH - IEK1
Prof. O. Guillon
Prof. D. Fattakhova-Rohlfing
Dr. M. Finsterbusch
Dr. S. Uhlenbruck
Dr. F. Tietz
This subproject focuses on the oxide- and phosphate-based solid electrolytes. In terms of safety, processability and environmental compatibility, they represent two extremely promising material classes: oxides such as garnet-like LLZ and phosphate-based NaSICON structures (LATP). For both systems, however, bottlenecks in the availability of high-quality materials for the German research landscape have been identified. In addition, the materials must be optimized regarding their further processing into cell components and entire solid-state batteries. Therefore, this subproject aims to address these pressing research and development problems in a focused way.
O2 - Fraunhofer IKTS
Dr. M. Wolter
Dr. M. Kusnezoff
The sub-project focuses on the development and production of solid phosphate electrolytes and the provision of reference materials, the development of adapted new methods, the scaling of syntheses to pilot plant scale and the provision of amorphous and crystalline phosphates. The focus of the subproject is on phosphate solid electrolytes for the production of the separator as a lithium-ion-conducting separating layer between cathode and anode and for the use of the solid electrolyte as a lithium-ion conductor in the cathode. In parallel, suitable methods are developed to characterize the functions of the composite cathode (storage, Li conduction and electron conduction) and to separate the various conduction mechanisms from each other.
O3 - Karlsruher Institut für Technologie, KIT - IAM
Prof. M.J. Hoffmann
LATP and LLTO have a large application potential as lithium ion conductive solid electrolytes, since they already have comparable grain conductivities to liquid electrolytes. The targeted substitution of Ti, Al and P or La and Ti is intended to increase both the conductivity of polycrystalline materials and their resistance to metallic lithium. Thereby, dense components at low temperatures shall be produced. Sintering must be carried out without pressure in order to avoid restrictions in the design of an electrochemical cell. In addition, first orienting investigations on the compatibility of the novel solid electrolytes with potential active materials are carried out.
O4 - Universität Duisburg-Essen
Prof. C. Schulz
PD Dr. H. Wiggers
The aim of this subproject is the production of nanoscale starting materials for the manufacture of ceramic lithium-lanthanum-zirconate (LLZO) and lithium-aluminum-titanium-phosphate (LATP) solid electrolytes. The required sintering temperature for densification of ceramics can be significantly reduced by decreasing the particle size to the nanoscale, which offers advantages for the process technology as well as reduces the loss of lithium during sintering. Furthermore, in contrast to microscale materials, nanoscale starting materials allow the production of very thin layers, resulting in significant advantages with respect to total ion conductivity due to short transport distances.
P1 - Helmholtz-Institut Ulm, HIU
Prof. S. Passerini
Dr. D. Bresser
The aim of the subproject is to create a material basis for the critical evaluation of polymer-based electrolyte concepts for solid-state lithium batteries. The work at HIU/KIT is concerned with the identification, synthesis and processing of polymer and gel polymer electrolyte systems - the latter containing low to non-volatile liquid phases, such as ionic liquids - as well as their basic physicochemical and electrochemical characterization, the analysis and preliminary work for upscaling the representation of selected systems and their application in lithium polymer cells. Received data and results are made available to the method platform “theory and data” for the creation of a comprehensive database of reference data for quality assurance.
P2 - Helmholtz-Institut Münster, HI MS
Prof. M. Winter
Prof. H.-D. Wiemhöfer
PD Dr. G. Brunklaus
The aim is to develop the material basis of solid-state batteries using organic solid and hybrid polymer electrolytes. The focus is on the development, optimization and production of promising solid and hybrid polymer electrolytes. In addition, a collection of reliable reference data will be established, including data on chemical and electrochemical stability of individual classes of materials against lithium metal and high performance cathode materials, which will be used to establish criteria for reliable evaluation of the materials and possibilities for providing cost-effective methods for upscaling the most promising solid and hybrid polymer electrolytes.
P3 - Karlsruher Institut für Technologie, KIT
Prof. P. Théato
The aim of the subproject is to create a basis for the critical evaluation of polymer-based electrolyte concepts for the realization of solid-state lithium batteries. The work at the KIT focuses on the identification and synthesis of polymer electrolyte systems as well as their basic physicochemical and electrochemical characterization and, finally, their application in lithium polymer cells. This includes relevant preliminary work for the realization of a stable lithium metal anode, which is planned for the second project phase. Furthermore, the obtained data and results will be made available to the method platform "theory and data" for the creation of a comprehensive database of reference data for quality assurance.
T1 - Justus-Liebig-Universität
Prof. J. Janek
Dr. W. Zeier
Dr. K. Peppler
The central aim is to test the stability of known and new sulfide electrolytes against cathode active materials and lithium, to evaluate the resulting transport properties in test cells and to clarify reaction paths in order to propose suitable protection concepts if necessary. In addition, the conditions for the long-term stable and reversible lithium metal anode in sulfidic solid-state cells are explored. The structure-property relationships of sulfide solid electrolytes are analyzed and the influence of the synthesis process on phase formation and their conductivities are studied in order to identify optimal synthesis conditions.
T2 - Fraunhofer CES, Abteilung EVA
Prof. A. Kwade
Sulfur-based solid electrolytes show the highest ionic conductivities and at the same time the lowest material availability or highest synthesis times. Scalable process technologies for the production of these electrolytes are not yet known. In addition to production, processing in a composite cathode also poses challenges, since the solid/solid interfaces (e.g. active material/solid electrolyte) are often unstable or inhomogeneous. Therefore, the goals of this subproject are the development of scalable and temperature controlled synthesis procedures and the development of a scalable infiltration process of sulfur-based solid electrolytes into a free-standing cathode.
T3 - MPI für Festkörperforschung, Stuttgart
Prof. B. Lotsch
Although thiophosphates currently have the highest conductivity among solid electrolytes, their use in solid-state batteries is still limited due to microstructure effects and SEI formation and the resulting contact resistances. The low (electro-)chemical stability of sulfide solid electrolytes in relation to the electrodes also calls into question the cycle stability of these systems. The goals are to improve the lithium-ion conductivity, to develop new types of sulfide ion conductors and to develop solid electrolytes that are either kinetically inert towards the electrodes or can be stabilized by the formation of suitable interphases.
T4 - TU Braunschweig, iPAT
Prof. A. Kwade
Dr.-Ing. S. Zellmer
The iPAT subproject develops, evaluates and assesses dry and wet process routes regarding their scalability for the industrial production of lithium thiophosphates. Special emphasis is placed on the resulting product properties as well as on the characterization of material properties to determine data for a superordinate material platform. Furthermore, systematic investigations for the production of electrodes are carried out and the quality of the resulting cathodes is determined under consideration of process and product properties in order to enable a scale-up of cell construction in the 2nd project phase.
C1 - Karlsruher Institut für Technologie, KIT IAM -ESS
Prof. H. Ehrenberg
Dr. Michael Knapp
Dr. Sylvio Indris
The aim of the project is the structural and microstructural characterization of the materials used and synthesized, as well as the determination of reaction paths during synthesis as far as the formation of crystallographic phases is concerned. In addition, the lithium diffusion paths will be determined on selected solid electrolytes. In disordered, semi-crystalline and amorphous systems, structural information are obtained. The obtained structural data will be made available to the platform “theory and data” for the creation of a database and for the modelling of promising materials. On the other hand, the results are directly incorporated into the optimization and adaptation of the process and synthesis routes of the material platforms.
C2 - Forschungszentrum Jülich GmbH, FZJ IEK9
Prof. R. Eichel
Dr. J. Granwehr
The aim of the project is the development of methods for the direct determination of ion mobility and their application for the characterization of materials. The focus is on the applicability for a wide range of material classes, simple analysis of the data as well as the scalability regarding the number of investigated samples. The focus will be on methods for the determination of diffusion constants as well as methods and setups that allow the samples to be operated under potential. Finally, these techniques will be applied to a wider range of samples from the material platforms and the measurements obtained will be made available via the platform “theory and data” for material modelling and material optimization.
C3 - Universität Marburg
Prof. K. Volz
Dr. A. Beyer
The subproject contributes to the creation of a database by providing quantitative structural data of the materials. On the one hand, the global structure, crystallite orientation and composition of the composites will be quantified. On the other hand, the atomic arrangement and local composition at different interfaces will be addressed. In particular, the goals are to optimize sample preparation and measurement conditions for electron microscopy of the investigated materials, to determine the structure of the materials and to quantify the composition of the different materials.
C4 - Justus-Liebig-Universität Gießen Teilprojekt
Prof. J. Janek
Dr. J. Sann
Dr. M. Rohnke
The subproject has the central goal of promoting the understanding of interface reactions and developing optimized solid electrolytes. The construction of high-performance solid-state batteries requires the use of lithium metal (anode) and cathode materials, most of which react with the available solid electrolytes. The resulting boundary layers usually lead to an increase in electrode and cell impedance. The aim is to characterize and compare the boundary layers of the different solid electrolytes. Towards the end of the project, a comprehensive analysis of the boundary layers of solid electrolytes in contact with lithium and cathode material will be available.
C5 - Karlsruher Institut für Technologie, KIT IAM-WET
Prof. E. Ivers-Tiffée
Dr.-Ing. A. Weber
D1 - TU Darmstadt
Prof. K. Albe
Dr. J. Rohrer
The subproject provides atomistic modelling of the structure and thermodynamic properties of new or improved sulfidic solid electrolytes by means of electron structure calculations within density functional theory, the prediction of kinetic parameters at the influence of electric and mechanical field quantities, and the characterization of interface reactions. For crystalline solid electrolytes and amorphous systems, realistic structural models are developed and characterized with respect to their thermodynamic properties. The calculated structural properties are used directly for the interpretation of the data received from the method platform characterization and are added to the reference database.
D2 - DLR am Helmholtz-Institut Ulm
Prof. A. Latz
Within the framework of mesoscopic electrochemical-physical modelling and simulation, both the transport properties and the interface properties of the different solid electrolyte classes are derived, investigated and evaluated by means of simulations. The aim is to develop individual physico-chemical transport models for the different solid electrolyte classes, each of which describes the complex coupling between ionic and electronic charge carrier distribution, heat distribution, potential, pressure and stress distribution and their effects on transport and electric current. A further goal is the unified detailed modeling of interface properties and processes and their interactions for the different material combinations.
D3 - WWU Münster / Helmholtz-Institut Münster
Prof. A. Heuer
Dr. D. Diddens
In this subproject, molecular dynamics simulations on an atomistic scale are performed on relevant polymer-based electrolytes. The structural, dynamic and energetic properties are investigated both with and without interfaces. There is a close contact to both ab initio and continuous scales. It is also the aim to develop an optimal data exchange between the description levels. For core systems the properties near interfaces are also investigated.
D4 - Karlsruher Institut für Technologie, KIT IAM
Prof. B. Nestler
Dr.-Ing. M. Selzer
The sub-project develops a research data infrastructure for solid-state battery systems and makes it available across clusters to enable transparent, efficient and sustainable knowledge-based material development by FestBatt. Within the two method platforms “theory and data” as well as “characterization”, large data volumes (Big Data) are generated over a broad scale, starting from atomistic structure-property relationships via microstructural relationships to the macroscopic scale of half- and full cells. User adapted programming interfaces and conversion programs are developed..
D5 - TU München, TUM
Prof. A. Wall
The aim of this subproject is the development and implementation of novel models and numerical methods that allow physics-based, predictive simulations of the electrochemistry/mechanics interaction in solid-state batteries (ASSB). In particular, the influence of contact mechanics, complex processes at the interface and the mutual interaction of mechanical and electrochemical properties will be in focus. In addition, information from smaller length scales (e.g. from atomistic simulations) will be used via substitute models and multi-scale approaches.
K - Justus-Liebig-Universität
Prof. J. Janek
Dr. T. Leichtweiß
Dr. J. Sann
The accompanying project serves to coordinate the cooperation of the platforms as well as the networking of the cluster with the management circle, the project management agency, the Federal Ministry of Education and Research (BMBF) and other thematically related projects.