Electrons are the workhorses of solar energy conversion. Conversion of the energy of light to
electricity in photovoltaics, or to energy-rich molecules (solar fuel) through photocatalytic …

We review the tremendous advances in ultrafast X-ray science, over the past 15 years,
making the best use of new ultrashort X-ray sources including table-top or large-scale …

Modern photoredox catalysis has traditionally relied upon metal-to-ligand charge-transfer
(MLCT) excitation of metal polypyridyl complexes for the utilization of light energy for the …

Here we investigate the photophysics and photochemistry of Ni (II) aryl halide complexes
common to cross-coupling and Ni/photoredox reactions. Computational and ultrafast …

Square-planar NiII complexes and their electronically excited states play key roles in cross-
coupling catalysis and could offer new opportunities to complement well-known …

We discuss a theoretical approach that employs machine learning potential energy surfaces
(ML-PESs) in the nonadiabatic dynamics simulation of polyatomic systems by taking 6 …

Luminescence properties and excited state reactivities of photoactive transition metal
complexes have been harnessed for various applications in the fields of electroluminescent …

The applicability of ruthenium tris (bipyridine) complexes in fields like photoactivated
chemotherapy or photocatalysis requires in-depth understanding of their excited state …

The non-equilibrium dynamics of electrons and nuclei govern the function of photoactive
materials. Disentangling these dynamics remains a critical goal for understanding …

Recent clinical reports have highlighted the increasing occurrence of drug resistance of
known therapeutics. Particularly, antibiotic resistant microorganisms and multidrug …