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Timea??dependent density functional theory investigations on structural modification in carbazolea??based organic photosensitizers to improve electron injection in dyea??sensitized solar cell
摘要： The time-dependent density functional theory approach, implemented at hybrid-B3LYP, GGA-PBE, and density functional-based tight binding levels of theory, was used to model photoinjection in organic dye/TiO2 quantum dot to explore the prospects of improvement of dye-sensitized solar cell (DSSC). The photosensitizer used in this study consisted of six carbazole-based organic dyes, a cyanoacrylic acid group as an acceptor and an oligothiophene π-bridge spacer. The modifications were made in the dyes by increasing the length of the spacer by adding thiophene and oxadiazole rings at different positions of the donor-acceptor bridge. The structural variations appeared to alter the electronic and optical properties of dyes studied via energy levels and excitation spectra. The UV-Vis spectra calculated for all the dyes in solvents exhibited a red shift in spectral peaks with an increase in the polarity of the solvents. The findings of the study pointed toward the indirect photoinjection of the dye-(TiO2)96 complex for six different dyes. The substitution of the oxadiazole ring at the center and addition of a thiophene ring at the edge of the spacer produced two dyes that exhibited the lowest injection energies of 0.11 and 0.17 eV, along with the regeneration energies of 1.18 and 1.12 eV, respectively. The dyes reported here may have promising applications in photoanode for enhancing the performance of DSSC.
关键词： DSSC,photoinjection,density functional theory,organic dyes
更新于2025-09-23 15:19:57
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Enzyme-Assisted Photoinjection of Megadalton Molecules into Intact Plant Cells Using Femtosecond Laser Amplifier
摘要： femtosecond laser photoporation has become a popular method to deliver various kinds of molecules such as genes, proteins, and fluorescent dyes into single mammalian cells. However, this method is not easily applied to plant cells because their cell wall and turgor pressure prevent the delivery, especially for larger molecules than the mesh size of the cell wall. This work is the first demonstration of the efficient photoinjection of megadalton molecules into a cytoplasm of an intact single plant cell by employing a femtosecond laser amplifier under moderate enzyme treatment conditions. The intense femtosecond laser pulse effectively formed a pore on the cell wall and membrane of Tobacco BY-2, and 2 MDa dextran molecules were introduced through the pore. Along with the pore formation, induced mechanical tensile stresses on BY-2 cells were considered to increase permeability of the cell membrane and enhance the uptake of large molecules. Moreover, the moderate enzyme treatment partially degraded the cell wall thereby facilitating the increase of the molecular introduction efficiency.
关键词： plant cells,femtosecond laser,megadalton molecules,photoinjection,enzyme treatment
更新于2025-09-11 14:15:04