We present a method for large-scale DFT-based screening of ion diffusion in crystalline solids. This is accomplished by extending the Ionic TuTraSt method to sample the potential energy surface by usi...

Preprints in Motion · Episode

Das Maskottchen des Eurovision Song Contest (ESC) 2025 in Basel heisst «Lumo» und ist ein Herzchen auf zwei Beinen mit feurig-rotem Haarbusch.

Plasmons can drive chemical reactions by directly exciting intramolecular transitions. However, strong coupling of plasmons to single molecules remains a challenge as ultrasmall mode volumes are required. In the presented work, we propose Cu–Pd plasmonic network metamaterials as scalable platforms for plasmon-assisted catalysis. Due to the absence of translational symmetry, these networks provide a unique plasmonic environment featuring a large local density of optical states and an unparalleled density of hotspots that effectively localizes light in mode volumes V < 8 × 10–24 m3. Catalytic performance tests during CO2 conversion reveal production rates of up to 4.3 × 102 mmol g–1 h–1 and altered reaction selectivity under light illumination. Importantly, we show that the selectivity of the catalytic process can be tuned by modifying the network’s chemical composition, offering a versatile approach to optimize reaction pathways.

The structure and dynamics of a material are essentially determined by the complex combination of potential energy landscapes experienced by the individual atoms in the system. In turn, valuable infor...