The role of the donor group and electron-accepting substitutions inserted in π-linkers in tuning the optoelectronic properties of D-π-A dye-sensitized solar cells: a DFT/TDDFT study.

ABSTRACT: The design of low-cost and high-efficiency sensitizers is one of the most important factors in the expansion of dye-sensitized solar cells (DSSCs). To obtain effective sensitizer dyes for applications in dye-sensitized solar cells, a series of metal-free organic dyes with the D-π-A-A arrangement and with different donor and acceptor groups have been designed by using computational methodologies based on density functional theory (DFT) and time-dependent density functional theory (TD-DFT). We have designed JK-POZ(1-3) and JK-PTZ(1-3) D-π-A-A organic dyes by modifying the donor and π-linker units of the JK-201 reference dye. Computational calculations of the structural, photochemical properties and electrochemical properties, as well as the key parameters related to the short-circuit current

SUBMITTER: Roohi H 

PROVIDER: S-EPMC9006569 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature