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SYEM: Symposium Emerging Materials for Renewable Energy Conversion

SYEM 1: Emerging Materials for Renewable Energy Conversion

SYEM 1.6: Invited Talk

Wednesday, March 20, 2024, 12:30–13:00, H 0105

Mastering Compositional Complexity in High Entropy Materials for Energy Applications - Towards Accelerated Materials Discovery by Integration of High-throughput Experimentation, Simulation, and Materials Informatics — •Alfred Ludwig — Ruhr-Universität Bochum

Discovery of new materials is a key challenge in materials science. New materials for a sustainable energy system are necessary. Compositionally complex materials, ("high entropy materials"), offer a vast multidimensional search space, which provides opportunities for discovering new materials. However, efficient methods for the exploration and exploitation of this search space are necessary. Integration of high-throughput thin-film combinatorial materials science methods with simulation and materials informatics is an effective means to produce large datasets on new materials, which enables mastering of the search space. Theoretical predictions from high-throughput computations are combined with production of large, consistent and complete experimental datasets, which are used for materials informatics. Thin-film materials libraries are fabricated by combinatorial sputter deposition and analysed by high-throughput characterization. The talk discusses examples of combinatorial discoveries and the targeted development of new materials for electrocatalysis where compositional complexity offers a new design principle. Furthermore, applications of materials informatics to accelerate and improve the materials discovery process are presented.

Keywords: thin film materials libraries; high-throughput experimentation; materials informatics; compositionally complex materials; electrocatalysts