Exploration of the Intriguing Photovoltaic Behavior for Fused Indacenodithiophene-Based A-D-A Conjugated Systems: A DFT Model Study.

ABSTRACT: Many researchers are engaged nowadays in developing efficient photovoltaic materials to accomplish the demand of modern technology. Nonfullerene small molecular acceptors (NF-SMAs) show potential photovoltaic performance, accelerating the development of organic solar cells (OSCs). Herein, the first theoretical designing of a series of indacenodithiophene-based (IDIC1-IDIC6) acceptor chromophores was done by structural tailoring with various well-known acceptors from the recently synthesized IDICR molecule. For the selection of the best level of density functional theory (DFT), various functionals such as B3LYP, M06-2X, CAM-B3LYP, and ωB97XD with the 6-311G(d,p) basis set were used for the UV-visible analysis of IDICR. Consequently, UV-visible results revealed th

SUBMITTER: Arshad MN 

PROVIDER: S-EPMC9017102 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature