Solar energy is an ample renewable energy resource, with photovoltaic (PV) technology
enabling a direct route from light to electricity. Currently, PVs are limited in photon …

This account aims at providing an understanding of singlet fission, ie, the photophysical
process of a singlet state (S1) splitting into two triplet states (2× T1) in molecular …

Singlet fission is a photophysical reaction in which a singlet excited electronic state splits
into two spin-triplet states. Singlet fission was discovered more than 50 years ago, but the …

Understanding the properties of electronically excited states is a challenging task that
becomes increasingly important for numerous applications in chemistry, molecular physics …

Organic semiconductor materials have been widely used in various optoelectronic devices
due to their rich optical and/or electrical properties, which are highly related to their excited …

Open-shell molecules such as radicals, carbenes, and electronically excited-state molecules
exhibit high energies, and thus, in general, they are quite reactive. 1 The short-lived species …

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 …

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

A survey is provided of recent progress in the understanding of singlet fission, a spin-
allowed process in which a singlet excited molecule shares its energy with a ground-state …

Singlet fission (SF) is a photophysical downconversion pathway, in which a singlet excitation
transforms into two triplet excited states. As such, it constitutes an exciton multiplication …