Langmuir, Journal Year: 2024, Volume and Issue: 41(1), P. 193 - 206
Published: Dec. 30, 2024
In this paper, novel triphenylamine (TPA)-based photosensitizers (YY-ThP, YY-PTh, YY-TTP, and YY-PTT) with a donor-π-acceptor (D-π-A) structure are developed for dye-sensitized solar cells by rearrangement of planar thiophene thienothiophene benzene ring as π-bridging chain. Density functional theory calculations performed to obtain the HOMO–LUMO electron cloud density distribution, dipole moment (μ), intermolecular torsion angle (θ), three-dimensional (3D) molecular structure, electrostatic potential surface (ESP) maps dyes. The effects π-bridge chain dye cosensitization on photophysical, electrochemical, photovoltaic properties devices investigated through experiment analysis. results showed that YY-ThP group in π-bridged linked TPA donor has largest μ (14.74 D) smallest θ (17.48°), electron-withdrawing enabled faster intramolecular charge transfer, which made it exhibit best energy conversion efficiency (PCE = 4.78%). Furthermore, YY-ThP+YY-PTh device an equimolar ratio minimizes lateral migration dark current generation, achieving highest PCE (5.28%).
Language: Английский