Excited states articles from across Nature Portfolio

Electronic spin influences chemistry profoundly, but its role in surface chemistry is poorly established. Now the spin-dependent reaction probabilities of oxygen atoms with a graphite surface have been studied. Molecular dynamics simulations help elucidate the mechanism for spin-flipping, which is observed to occur with low probability in surface scattering experiments.

The mixing between Frenkel and charge-transfer characters in molecular excitons is difficult to analyze. Here, the authors demonstrate the onset and evolution of the mixing using 2D perylene molecular crystals by measuring the reorientation of emission transition dipoles with varying thicknesses.

Electron screening is crucial to interpret inelastic X-ray scattering experiments in materials. Here the authors use a combined analysis based on the Bethe-Salpeter equation and time-dependent density functional theory to calculate the dielectric function and obtain the band gap of liquid water.

Reliably identifying transient intermediates is crucial to elucidate chemical reaction mechanisms. Here, the authors use femtosecond Fe Kβ main line and valence-to-core x-ray emission spectroscopy to characterize a short-lived intermediate of the aqueous ferricyanide photo-aquation reaction.

The distribution of dihedral angles in film state has significant influence on excited state lifetimes of thermally activated delayed fluorescence emitters. Here authors report conformation distribution confinement strategy to achieve fast spin-flipping for efficient organic light-emitting diodes.

Quintet formation is a part of a photochemical energy conversion process, which could be exploited to help achieve higher efficiency values for photovoltaics. Here, the authors propose a stochastic and coherent resonance mechanism for formation of the quintet spin state in singlet fission materials, that is still viable in the strong-exchange regime.