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Michael Hirscher

Publications and source records attributed to Michael Hirscher.

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Building a physics-aware AI ecosystem for solid-state hydrogen storage materials

Hydrogen storage remains a central bottleneck for scalable hydrogen energy systems due to the multiscale and coupled nature of the thermodynamics, kinetics, and microstructural evolution of hydrogen storage materials (HSMs). Although artificial intelligence (AI) has accelerated materials discovery, current approaches remain constrained by fragmented data, limited physical consistency, and weak integration with experimental validation. Here, we propose a unified framework that integrates coherent data infrastructure, physics-grounded modeling, and AI-driven inverse design within a closed-loop discovery paradigm. By embedding physical constraints and experimental feedback, this approach enables adaptive, physically consistent optimization, thereby establishing a pathway toward autonomous, digital-twin-enabled discovery of HSMs.

cond-mat.mtrl-sci

Tritium Separation from Gaseous 1,2,3H Isotopologue Mixtures by Selective Adsorption on Ag-Exchanged Zeolite Type Y

Efficient separation of hydrogen isotopologues is crucial for applications such as the recycling of exhaust streams in nuclear fusion reactors. Using thermal desorption spectroscopy (TDS), we report, for the first time, on separation experiments of a ternary 1,2,3H isotope mixture, achieving tritium enrichment of 70% from an initially equimolar (1:1:1) gas mixture, based on selective adsorption using an Ag(I)-exchanged zeolite type Y. Further experiments on binary hydrogen isotope mixtures validated numerical predictions of the separation efficiency for T2. Specifically, the high selectivity for tritium over protium of 38.2 makes the Ag(I)-exchanged zeolite an excellent candidate for energy-efficient isotope separation at liquid-nitrogen temperature.

physics.chem-ph

Dynamic Janus Metasurfaces in the Visible Spectral Region

Janus monolayers have long been captivated as a popular notion for breaking in-plane and out-of-plane structural symmetry. Originated from chemistry and materials science, the concept of Janus functions have been recently extended to ultrathin metasurfaces by arranging meta-atoms asymmetrically with respect to the propagation or polarization direction of the incident light. However, such metasurfaces are intrinsically static and the information they carry can be straightforwardly decrypted by scanning the incident light directions and polarization states once the devices are fabricated. In this Letter, we present a dynamic Janus metasurface scheme in the visible spectral region. In each super unit cell, three plasmonic pixels are categorized into two sets. One set contains a magnesium nanorod and a gold nanorod that are orthogonally oriented with respect to each other, working as counter pixels. The other set only contains a magnesium nanorod. The effective pixels on the Janus metasurface can be reversibly regulated by hydrogenation/dehydrogenation of the magnesium nanorods. Such dynamic controllability at visible frequencies allows for flat optical elements with novel functionalities including beam steering, bifocal lensing, holographic encryption, and dual optical function switching.

physics.optics

Generation of Switchable Singular Beams with Dynamic Metasurfaces

Singular beams have attracted great attention due to their optical properties and broad applications from light manipulation to optical communications. However, there has been a lack of practical schemes with which to achieve switchable singular beams with sub-wavelength resolution using ultrathin and flat optical devices. In this work, we demonstrate the generation of switchable vector and vortex beams utilizing dynamic metasurfaces at visible frequencies. The dynamic functionality of the metasurface pixels is enabled by the utilization of magnesium nanorods, which possess plasmonic reconfigurability upon hydrogenation and dehydrogenation. We show that switchable vector beams of different polarization states and switchable vortex beams of different topological charges can be implemented through simple hydrogenation and dehydrogenation of the same metasurfaces. Furthermore, we demonstrate a two-cascade metasurface scheme for holographic pattern switching, taking inspiration from orbital angular momentum-shift keying. Our work provides an additional degree of freedom to develop high-security optical elements for anti-counterfeiting applications.

physics.optics

Materials for hydrogen-based energy storage: Past, recent progress and future outlook

Magnesium hydride owns the largest share of publications on solid materials for hydrogen storage. The Magnesium group of international experts contributing to IEA Task 32 Hydrogen Based Energy Storage recently published two review papers presenting the activities of the group focused on magnesium hydride based materials and on Mg based compounds for hydrogen and energy storage. This review article not only overviews the latest activities on both fundamental aspects of Mg-based hydrides and their applications, but also presents a historic overview on the topic and outlines projected future developments. Particular attention is paid to the theoretical and experimental studies of Mg-H system at extreme pressures, kinetics and thermodynamics of the systems based on MgH2,nanostructuring, new Mg-based compounds and novel composites, and catalysis in the Mg based H storage systems. Finally, thermal energy storage and upscaled H storage systems accommodating MgH2 are presented.

cond-mat.mtrl-sci