Meanwhile, considering the absorption spectra and free energy variation, the promising electronic donors, π-conjugated bridges, and acceptors are presented to design dye sensitizers.
Based upon the calculated results, we investigated the role of different electronic donors, acceptors, and π-conjugated bridges in the modification of electronic structures, absorption properties, as well as the free energy variations for electron injection and dye regeneration.
In the procedure of dye sensitizer design, it is very important to understand how to tune their electronic structures and related properties through the substitution of electronic donors, acceptors, and conjugated bridges in dye sensitizers.
We report two series of D-A-π-A metal-free organic sensitizers for dye-sensitized solar cells (DSSCs) based on triphenylamine and N-hexyl-carbazole as electronic donors, respectively.
This mainly ascribes to the introduction of oxygen vacancies, which could be regarded as electron donor, change the electronic structure, and facilitate the Li+ ion diffusion and electron transportation.
However, the fine-tuning of molecular and electronic properties of the electron donor to exactly fulfill the requirements dictated by the fullerenes is a rigid and suboptimal design strategy.
The dye DPP-I with indoline moiety as the electron donor demonstrates desirable energetic, electronic, and spectroscopic parameters for dye sensitized solar cells (DSSCs) applications.
To effectively modulate the molecular energy levels of isoindigo-based polymers through side-chain modification on the donor segments, three alkoxyphenyl-modified benzo[1,2-b 4,5-b′]dithiophene (benzo[1,2-b 4,5-b′]dithiophene as electronic-donor units, which were copolymerized with the electron-withdrawing segment 2-ethylhexyl-subenzo[1,2-b 4,5-b′]dithiopheneonstruct donor-acceptor (D-A) polymers.
Molecular structure of the compounds, electronic and solvation energies, electronic transitions and HOMO LUMO energy gaps were analyzed and compared using electron donor and electron acceptor substituents in gas phase and in solution.
The establishment of electronic connections between electron donors and acceptors in microbial communities is critical to electron transfer via electrical currents.
