Fine structural tuning of diphenylaniline-based dyes for designing semiconductors relevant to dye-sensitized solar cells.

ABSTRACT: Motivated by recent study on synthesized N, N-diphenylaniline (DPA)-based dyes [DOI: https://doi.org/10.1016/j.solener.2022.01.062 ] for use in dye-sensitized solar cells (DSSCs), we theoretically design several dyes and explore their potential for enhancing the efficiency of DSSCs. Our designed dyes are based on the molecular structure of synthesized DPA-azo-A and DPA-azo-N dyes with a donor-π-bridge-acceptor (D-π-A) framework. In this research, we aim to develop the power conversion efficiency (PCE) of DSSCs by fine-tuning the molecular structure of the synthesized dyes. To this end, we focus on designing dyes by replacing the units of DPA-azo-A and DPA-azo-N with a variety of donor, π-bridge, and acceptor. Hence the density functional theory (DFT) and time-dependent density functional t

SUBMITTER: Omidvar A 

PROVIDER: S-EPMC11528015 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature