A DFT study to probe homo-conjugated norbornylogous bridged spacers in dye-sensitized solar cells: an approach to suppressing agglomeration of dye molecules.

ABSTRACT: This work reports a sigma-bridged framework as spacers to design new dye-sensitized solar cells. The norbornylogous bridged spacer can avoid π-π aggregation of dye molecules on the semiconductor surface in DSSCs. These sesquinorbornatrienes are known to exhibit electron propagation through the interaction of sigma and π orbitals via through bond (OITB) and through space (OITS) mechanisms. Density functional theory (DFT) calculations performed with these spacers and a modelled simple donor unit like N,N-dimethylamine and cyanoacrylic acid as the anchoring group showed significant results with the requisite optical parameters for DSSCs. The newly designed dyes have shown comparable or better optical properties compared to the reference dye molecule with π-conjugated thio

SUBMITTER: Saha A 

PROVIDER: S-EPMC9052607 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature