Journal
MOLECULES
Volume 27, Issue 24, Pages -Publisher
MDPI
DOI: 10.3390/molecules27248672
Keywords
organic semiconductor materials; benzothiazole; density functional theory; optical properties; charge transport
Funding
- King Abdulaziz City for Science and Technology (KACST), Riyadh, Saudi Arabia
- [12-ADV2976-07-R]
Ask authors/readers for more resources
A series of new donor-acceptor compounds (Comp1-4) derived from benzothiazole were synthesized and characterized to tune their multifunctional properties. The effects of electron-donating and electron-withdrawing groups on optoelectronic and charge transfer properties were studied, and the influence of solvent polarity on absorption spectra was investigated. Thin films of the compounds were prepared and evaluated for charge carrier mobility and other device parameters.
A series of new benzothiazole-derived donor-acceptor-based compounds (Comp1-4) were synthesized and characterized with the objective of tuning their multifunctional properties, i.e., charge transport, electronic, and optical. All the proposed structural formulations (Comp1-4) were commensurate using FTIR, H-1 NMR, C-13 NMR, ESI-mass, UV-vis, and elemental analysis techniques. The effects of the electron-donating group (-CH3) and electron-withdrawing group (-NO2) on the optoelectronic and charge transfer properties were studied. The substituent effect on absorption was calculated at the TD-B3LYP/6-31+G** level in the gas and solvent phases. The effect of solvent polarity on the absorption spectra using various polar and nonpolar solvents, i.e., ethanol, acetone, DMF, and DMSO was investigated. Light was shed on the charge transport in benzothiazole compounds by calculating electron affinity, ionization potential, and reorganization energies. Furthermore, the synthesized compounds were used to prepare thin films on the FTO substrate to evaluate the charge carrier mobility and other related device parameters with the help of I-V characteristic measurements.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available