Spatial-energy correlations strongly influence charge and exciton transport in weakly
ordered media such as organic semiconductors and nanoparticle assemblies. Focusing on …

Photo‐responsive adsorption has emerged as a vibrant area because it provides a
promising route to reduce the energy consumption of the traditional adsorption separation …

In the quest for an efficient solar energy harvester, one should focus on materials that have a
large carrier lifetime. Using time-domain density functional theory combined with …

Porphyrin nanoring has been attracting immense attention due to its light harvesting
capacity and potential applications in optical, catalysis, sensor, and electronic devices. We …

An analytical model of highly nonequilibrium hopping transport of charge carriers in
disordered organic semiconductors has been developed. In particular, the initial time …

Using ab initio nonadiabatic molecular dynamics, we study the effect of large A-site cations
on nonradiative electron–hole recombination in two-dimensional Ruddlesden–Popper …

In order to develop an efficient metal-free solar energy harvester, we herein performed the
electronic structure calculation, followed by the hot carrier relaxation dynamics of two …