Lithium-rich antiperovskites with high specific capacity as novel cathode materials for lithium-ion batteries

• Applicants: Dr. Nico Gräßler; Professor Dr. Rüdiger Klingeler
• Subject Area: Synthesis and Properties of Functional Materials ; Experimental Condensed Matter Physics ; Solid State and Surface Chemistry, Material Synthesis
• Term: since 2023
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 516651026

The present project addresses a new class of lithium-rich electrode materials, antiperovskite oxychalogenides (Li2M)ChO (M = Fe,Co,Mn; Ch = S, Se). Its high specific capacities combined with simple synthetic routes and, in many cases, inexpensive reactants make them a promising alternative to conventional cathode materials. Firstly studied for energy applications in 2017, there are only few but promising literature reports showing high practical specific capacity besides low cycling stability, which demonstrates the need for systematic studies. The central project goal is to exploit the potential of lithium-rich anti-perovskites for electrochemical energy storage by optimizing material composition and electrode fabrication as well as upscaling the synthesis routes as the next step for commercialization. Our focus will be on increasing the cell capacity and cycle life at the 1 C rate as optimization targets. These goals will be achieved by optimizing the materials in terms of particle size, morphology, microstructure, carbon functionalization, studying different metal centers and cationic doping by examining mixed series, studying the anion influence on the electrochemical processes and electrochemical performance, and the effect of doping with non-active metal centers (Zn, Cu, Mg, Al) on the cycling stability. The project partners combine all necessary competences with a variety of methods for synthesis, physicochemical and electrochemical characterization, and elucidation of the electrochemical mechanisms for achieving the project aims. In addition, the actual work program is based on our preliminary work on lithium-rich antiperovskites which has demonstrated the promises of the materials class and is a first example of the successful and complementary collaboration.

• DFG Programme: Research Grants
• Co-Investigator: Dr. Silke Hampel