Recent advances in organic solar cells based on non-fullerene acceptors (NFAs) come with
reduced non-radiative voltage losses (Δ V nr). Here we show that, in contrast to the energy …

Molecular packing structures in the active layers have a crucial impact on the electronic
processes for organic solar cells. To date, however, it is still difficult to probe molecular self …

Recent progress regarding planar heterojunctions (PHJs) is reviewed, with respect to the
fundamental understanding of the photophysical processes at the donor/acceptor interfaces …

Ternary architecture incorporating the third component is a facile and effective method to
enhance the device's performance and create excellent application prospects. However, the …

The charge-transfer electronic states appearing at the donor-acceptor interfaces in organic
solar cells mediate exciton dissociation, charge generation, and charge recombination. To …

An effective passivation approach to protect black phosphorus (BP) from degradation based
on multi-scale simulations is proposed. The self-assembly of perylene-3, 4, 9, 10 …

Low open-circuit voltages significantly limit the power conversion efficiency of organic
photovoltaic devices. Typical strategies to enhance the open-circuit voltage involve tuning …

We review recent progress in the modeling of organic solar cells and photovoltaic materials,
as well as discuss the underlying theoretical methods with an emphasis on dynamical …

We outline a step-by-step protocol that incorporates a number of theoretical and
computational methodologies to evaluate the structural and electronic properties of π …

The film morphology and device performance of planar heterojunction solar cells based on
the molecular donor material α-sexithiophene (6T) are investigated. Planar heterojunctions …