Impact of various heterocyclic π-linkers and their substitution position on the opto-electronic attributes of the A–π–D–π–A type IECIO-4F molecule: a comparative analysis

Abstract

We have introduced two series of six three-donor molecules, by the substitution of some effective π-linkers on the A–π–D–π–A type reference molecule IECIO-4F (taken as IOR) for efficient organic solar cells.

Designing dibenzosilole core based, A2–π–A1–π–D–π–A1–π–A2type donor molecules for promising photovoltaic parameters in organic photovoltaic cells

“…The reason behind the selection of this position is its reported strong electron transferring capabilities due to its seemingly planar orientation and low steric hindrance with the rest of the molecule. 18 In D1 , the newly attached acceptor moiety was; 2-(2-ethylidene-5,6-difluoro-3-oxo-indan-1-ylidene)-malononitrile, in D2 it was; 5-ethylidene-3-methyl-2-thioxo-thiazolidin-4-one, in D3 ; 2-(1-chloro-5-ethylidene-6-oxo-5,6-dihydro-cyclopenta [ c ]thiophen-4-ylidene)-malononitrile, while in D4 this moiety was 6-cyano-1-dicyanomethylene-2-ethylidene-3-oxo-indan-5-carboxylic acid methyl ester. Chemdraw sketches of reference R and D1–D4 chromophores are given in Fig.…”

Theoretical framework for achieving high Voc in non-fused non-fullerene terthiophene-based end-capped modified derivatives for potential applications in organic photovoltaics

“…This makes it possible to precisely check the acceptor and donor regions of the molecule to see whether each part is most likely to function as a HOMO or LUMO contributor. 68…”

Alteration of the central core of a DF-PCIC chromophore to boost the photovoltaic applications of non-fullerene acceptor based organic solar cells

“…As the environment utilized here is a constant one of either the chloroform solvent or the gas one, we have excluded this energy. 76 On the other hand, the λ int , including the one for the hole ( λ hole ) and the one for the electron ( λ electron ), was computed using eqn (1) and (2), taken from the Marcus theory. 77 These values of the reorganization energy of designed molecules and R are given in Table 5.…”