Theoretically studying the optoelectronic properties of oligomers based on 2.7-divinyl-cabazole

This work consists of theoretically studying the electronic and optical properties of 9-(4-octyloxyphenyl)-2.7-divinyl-carbazole (PCrV) oligomers. This study has been undertaken using the density functional theory (DFT) method at the B3LYP/6-31G (d,p) level and BP86/6-31G (d,p) level of theory. To evaluate the PCrV-basis systems properties, the structural optimization without geometrical restrictions was performed on the total potential energy surface (TPES). In order to ensure good absorption of radiation, the interest was in increasing the efficiency of the organic photovoltaic cell. For this effect, the (HOMO-LUMO) gap energy of such compounds was reduced in terms of geometric and electronic structure. The BP86 functional gives good results at the energy gap level, while other parameters using the B3LYP functional give the best results.

Impact of substituents on the performance of small-molecule semiconductors in organic photovoltaic devices via regulating morphology

This review summarizes recent prominent examples of substituent engineering on small-molecule organic semiconductors for photovoltaic applications, focusing on flexible substituents that regulate the active-layer morphology.

Enhancing organic photovoltaic performance with 3D-transport dual nonfullerene acceptors

We used dual nonfullerene acceptors Y6:FINIC with 3D charge transport features and polymer donor PM6 to fabricate sequential-process heterojunction (SHJ) and bulk heterojunction (BHJ) organic solar cells (OSCs). FINIC has...

Influence of Altering Chlorine Substitution Positions on Photovoltaic Property of Small Molecule Donors for All-Small-Molecule Organic Solar Cells

To deeply investigate the structure-property relationship in organic solar cells (OSCs), one widely used strategy is to design a series of organic photovoltaic materials with same chemical formular but different...

Delicate Crystallinity Control Enables High-Efficiency P3HT Organic Photovoltaic Cells

As a benchmark semiconducting polymer, poly(3-hexyl-thiophene) (P3HT) has been broadly used to construct a wide range of organic electronic devices such as photovoltaic cells, photodetectors, thermoelectrics, and transistors. In the...