Compositionally complex solid solutions (CCSS) comprising five or more different elements mixed in a simple single-phase crystal structure provide conceptually unique, highly promising prospects in important scientific and technological areas, where the surface dominates properties such as – and ultimately not limited to –electrocatalysis and corrosion, crucial for future sustainable energy conversion systems. The CRC aims to leverage the possibilities of CCSS as material design platforms by establishing a combined theoretical and experimental understanding of their atomic-scale surface features, as the unique properties of CCSS are caused by the large number of diverse poly-elemental active sites across their surface.
DEMI aims to revolutionise electrocatalysis research by moving from a traditional "initial state" concept to a data-centric understanding of the dynamic and metastable active interface of electrocatalysts during reactions. The project aims to overcome the limitations of elemental or binary alloy catalysts by exploring high entropy materials (HEM) to discover stable and active electrocatalysts for sustainable applications. The research integrates theoretical modelling, high-throughput synthesis, nanoparticle synthesis, electrochemical techniques and machine learning to understand and control the active interface of HEM electrocatalysts. The approach includes evolutionary screening, accelerated atomic-scale characterisation, high-throughput operando experiments, development of inverse activity-structure relationships and active learning using materials informatics to establish a theory of metastability for oxygen reduction, evolution and CO2 reduction in energy conversion reactions.
Identifying Composition-Process-Defect-Structure-Property Correlations in (La)-Co-X-Y-O Thin Film Libraries
Research Data Management and AI-driven Knowledge Discovery
Exploring high-entropy alloys for the hydrogen evolution reaction in alkaline electrocatalysis: from compositional screening to strain effects
Combinatorial exploration of thermochromic thin films in V-M1-M2-O systems
Investigation of phase formation and phase constitution in the systems Li-Mg-Al-O and Li-Al-Mn-O with special focus on spinel solid solutions
Discovery and design of inherently layered metal boride MAX and MAB phases
VO2-based thin film shape memory nanoactuators
CO2 electroreduction catalyst discovery by high-throughput experimentation: From screening of thin-film material libraries to gas diffusion electrodes
Cooperative shape memory actuator systems for nanomechanics and nanophotonics
Semi-autonomous combinatorial sputter system for the synthesis of multinary material libraries
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Exploration of high-dimensional compositional spaces for the accelerated development of electrochemical catalysts
DIMENSION: Determining materials for energy conversion - Establishing a fast track towards processing and evaluation
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Last update: Apr 24, 2024
