2 papers
physics.chem-ph2023
Ultrafast two-colour X-ray emission spectroscopy reveals excited state landscape in a base metal dyad
Michal Nowakowski, Marina Huber-Gedert, Hossam Elgabarty +15
Effective photoinduced charge transfer makes molecular bimetallic assemblies attractive for applications as active light induced proton reduction systems. For a more sustainable fu…
physics.chem-ph2020
Water structure near the surface of Weyl semimetals as catalysts in photocatalytic proton reduction
Jure Gujt, Peter Zimmer, Frederik Zysk +4
In this work, second-generation Car-Parrinello-based QM/MM molecular dynamics simulations of small nanoparticles of NbP, NbAs, TaAs and 1T-TaS in water are presented. The first…