Early Career Research Group

Multi-metallic systems can be classified into two categories: substitutional solid solutions (alloys), with a disordered atomic arrangement, and intermetallic compounds, which exhibit an ordered atomic arrangement. The crystal structure of solid solutions is derived from those of the constituent elements, with atomic sites randomly occupied. These structures predominantly adopt face-centred cubic (fcc, Cu-type), hexagonal close-packed (hcp, Mg-type), and body-centred cubic (bcc, W-type) crystal structures. In contrast, intermetallic compounds crystallize into distinct structures that differ from those of their individual elements. Their structural complexity can range from unit cells containing a single atom to ones with more than 20,000 atoms. The ordered atomic arrangement of intermetallic compounds gives rise to new electronic structures and chemical bonding, leading to unique physicochemical properties that are markedly different from those of their constituent elements or disordered alloy counterparts. This structural ordering also provides a platform for predictable atomic arrangements, offering an essential advantage for the rational design of advanced catalytic materials.

The Early Career Research Group (ECRG) on “High-Entropy Intermetallics for Electrocatalysis” is established within the Collaborative Research Center CRC 1625, which is dedicated to achieving an atomic-scale understanding and control of multifunctional, compositionally complex surfaces. Our research focuses on the design of high-entropy intermetallic compounds (HEIMCs) from conventional binary and ternary intermetallics to multicomponent metallic materials. These materials combine the multifunctionality of high-entropy systems with the ordered structure of intermetallic compounds to enhance electrocatalytic performance.

A key aspect of our work is unravelling the role of surface atomic arrangements in governing electronic and geometric effects, which are crucial for optimizing activity, selectivity, and stability in electrocatalysis. By integrating combinatorial sputtering, high-throughput electrochemical characterization, and computational modeling, we establish structure-property correlations that accelerate the discovery and optimization of next-generation electrocatalysts for electrochemical energy conversion.

By fostering collaboration between experts in synthesis, characterization, and theoretical modeling, the ECRG is integrated in the interdisciplinary approach of CRC 1625, expanding its research scope while contributing to the understanding and development of sustainable energy conversion materials.