Low‐Cost, High‐Efficiency, and Efficiency Predictable Small Molecule Organic Dyes with Bis(4‐styryl)phenyl Amino Donor for Dye‐Sensitized Solar Cells

Abstract

Three small molecule organic dyes (SMODs) with bis(4‐styryl)phenyl amino (BSPA) donor FWD4∼FWD6 are synthesized easily and applied as sensitizers for dye‐sensitized solar cells (DSSCs). The dipole moments (µ) of FWD4∼FWD6 are calculated by using density functional theory (DFT) to be 7.49, 9.64, and 9.22 D, respectively. The DSSCs based on FWD4∼FWD6 exhibit high power conversion efficiencies (η) of 5.83%, 7.62%, and 7.39%, respectively. The linear regression equation η = 0.817 µ–0.370 is created with R2 = 0.999 that reveals the equation owned high accuracy. Highly reliable linear equations are also obtained under different fabrication conditions, which indicates that the power conversion efficiency tendency is influenced only by these dyes’ intrinsic property, the dipole moment. The excellent linear correlation between the dipole moment and power conversion efficiency indicates that it is very likely to predict the power conversion efficiency precisely by calculating the dipole moment, which gives a convenient way to connect the experimental results with theoretical calculations for dyes with similar molecular structures.

Aggregation‐Free Organic Dyes Featuring Spiro[dibenzo[3,4:6,7]cyclohepta[1,2‐b]quinoxaline‐10,9′‐fluorene] (SDBQX) for Dye‐Sensitized Solar Cells

“…Since it was first reported in 1991, dye‐sensitized solar cells (DSSCs) have attracted wide attention and been well developed . Many chemists put their eyes on organic dyes because of their advantages such as low cost, low toxicity, easy structural modification and even efficiency predictable . Many kinds of excellent organic dyes have been developed, such as porphyrin dyes, N ‐annulated perylene dyes, and many different kinds of rigidified aromatics dyes .…”

Intrinsic influence of selenium substitution in thiophene and benzo-2,1,3-thiadiazole on the electronic structure, excited states and photovoltaic performances evaluated using theoretical calculations

“…5 NFAs usually have the advantages of efficient absorption, adjustable energy levels, and easy synthesis. 6 Recently, tremendous efforts have been contributed to designing and developing new NFAs, especially small molecular acceptors (SMAs). 7 NFAs have been greatly developed with the continuous progress of materials engineering.…”

Enhanced Absorption Performance of Dye-Sensitized Solar Cell with Composite Materials and Bilayer Structure of Nanorods and Nanospheres

“…Although DSSCs have the capability to harvest incoming photons over various wavelengths, they are still facing poorer power conversion efficiency (PCE) compared to currently existing solar cells, making them less attractive for the photovoltaic industry [6,7]. Researchers have proposed many techniques to improve their light-harvesting capabilities, including additional sensitizers with appropriate absorption bands [8,9], expanding the surface area of the semiconductor, and employing tandem devices [10]. The photoanode is the active component of a solar cell that plays a vital role in transporting photogenerated electrons to the counter electrode to improve the device's PCE.…”