The exciton, an excited electron–hole pair bound by Coulomb attraction, plays a key role in
photophysics of organic molecules and drives practically important phenomena such as …

Optically active molecular materials, such as organic conjugated polymers and biological
systems, are characterized by strong coupling between electronic and vibrational degrees of …

Owing to the inherent instability caused by the low Cu (I)/Cu (0) half-cell reduction potential,
Cu (0)-containing copper nanoclusters are quite uncommon in comparison to their Ag and …

Organic (opto) electronic materials have received considerable attention due to their
applications in thin-film-transistors, light-emitting diodes, solar cells, sensors, photorefractive …

A series of copper (I) complexes bearing a cyclic (amino)(aryl) carbene (CAArC) ligand with
various complex geometries have been investigated in great detail with regard to their …

This work introduces the PYXAID program, developed for non-adiabatic molecular dynamics
simulations in condensed matter systems. By applying the classical path approximation to …

The photoluminescence (PL) of metal nanoclusters (NCs), originating from their molecule-
like electronic structure, is one of the most intriguing properties of NCs. Although various …

The origin of the near-infrared photoluminescence (PL) from thiolate-protected gold
nanoclusters (Au NCs,< 2 nm) has long been controversial, and the exact mechanism for the …

Natural photosynthetic complexes accomplish the rapid conversion of photoexcitations into
spatially separated electrons and holes through precise hierarchical ordering of …

Conspectus To design functional photoactive materials for a variety of technological
applications, researchers need to understand their electronic properties in detail and have …