ArticleJournal of molecular modeling2022
Screening the influence of methoxy and anisyl groups to perylene based sensitizers for dye-sensitized solar cell applications: a computational approach.
Article in Journal of molecular modeling, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations are used to investigate the effect of methoxy and anisyl molecules attached to perylene, as well as the different positions of the sensitizers' π-spacers. The optical, spectroscopic, and electrochemical properties of designed sensitizers are investigated in dye-sensitized solar cell (DSSC) applications. Perylene serves as an electron donor and cyanoacrylic acid serves as an acceptor in the sensitizers under investigation. In the six configurations designed, cyanovinyl and thiophene are used as π-spacers. Methoxy and anisyl groups are two more donors that were combined with perylene to study the sensitizers' optoelectronic properties. UV-vis absorption spectra, light-harvesting efficiency (LHE), highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy gap, electron injection, electron regeneration, and nonlinear optical properties were used to compare optical and electronic properties. The incorporation of additional donors and different positions of spacers reduced the energy gap; red shifted the absorption spectra; and are prone to exhibit better power conversion efficiency (PCE) of the DSSC.
Indexed as
Identifiers
36322186What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.