Since the seminal report by Adachi and co-workers in 2012, there has been a veritable
explosion of interest in the design of thermally activated delayed fluorescence (TADF) …

Polymeric materials are ubiquitous in our everyday life, where they find a broad range of
uses—spanning across common household items to advanced materials for modern …

Dumbbell‐shaped systems based on PAHs‐BODIPY‐triarylamine hybrids TM‐(01‐04) are
designed as novel and highly efficient hole‐transporting materials for usage in planar …

In this work, we focus on the understanding of the driving force behind the S1–T1 excited-
state energy inversion (which would thus violate Hund's rule, making the S1 state lower in …

The high‐throughput exploration and screening of molecules for organic electronics
involves either a 'top‐down'curation and mining of existing repositories, or a 'bottom …

The molecular engineering of small molecule non-fullerene acceptors (NFAs) is central to
enhancing organic solar cell (OSC) performance. One of the effective strategies is the …

Organic photovoltaics (PV) is an energy-harvesting technology that offers many advantages,
such as flexibility, low weight and cost, as well as environmentally benign materials and …

Theoretical description of electronically excited states of molecular aggregates at an ab initio
level is computationally demanding. To reduce the computational cost, we propose a model …

Using molecular dynamics (MD) simulations of a generic model, we investigated heat
propagation in bottle–brush polymers (BBP). An architecture is referred to as a BBP when a …

Thermally activated delayed fluorescence (TADF) material has attracted great attention as a
promising metal-free organic light-emitting diode material with a high theoretical efficiency …