Computational insights into phthalimide-core non-fullerene acceptors for next-generation organic solar cells.

Traditional fullerene-based acceptors in organic solar cells (OSCs) suffer from limitations such as poor tunability, narrow absorption spectra, and limited morphological stability, restricting further improvements in device efficiency. To address these challenges, non-fullerene acceptors (NFAs) with tunable energy levels and broad optical absorption have gained increasing attention. In this study, seven novel phthalimide core-based donor-acceptor molecules (BPDM1-BPDM7) are computationally designed by modifying the terminal units of a reference molecule (BPDF).

Theoretical investigation of benzodithiophene-based donor molecules in organic solar cells: from structural optimization to performance metrics.

Achieving high power conversion efficiency (PCE) remains a significant challenge in the advancement of organic solar cells (OSCs). In the field of organic photovoltaics (OPVs), considerable progress has been made in optimizing molecular structures to improve the PCE. However, innovative material design strategies specifically aimed at enhancing PCE are still needed.

Computational approaches to enhance charge transfer and stability in TPBi-(PEA)PbI perovskite interfaces through molecular orientation optimization.

The optimization of material interfaces is crucial for the performance and longevity of optoelectronic devices. This study focuses on 1,3,5-tris(1-phenyl-1-benzimidazol-2-yl)benzene (TPBi), a key component in perovskite devices known for its efficient charge transfer capabilities. We investigate the TPBi-(PEA)PbI heterostructure interfaces to enhance device durability by optimizing interfacial properties.

Unraveling Degradation Processes and Strategies for Enhancing Reliability in Organic Light-Emitting Diodes.

Organic light-emitting diodes (OLEDs) have emerged as a promising technology for various applications owing to their advantages, including low-cost fabrication, flexibility, and compatibility. However, a limited lifetime hinders the practical application of OLEDs in electronic devices. OLEDs are prone to degradation effects during operation, resulting in a decrease in device lifetime and performance.