Bulk heterojunction organic photovoltaic cells based on D–A type BODIPY small molecules as non-fullerene acceptors

Abstract

Two non-fullerene small molecule acceptors based on CF3-4,4-Difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) as central acceptor core and different donor terminal triphenylamine and carbazole units denoted as CF3-BDP-1 and CF3-BDP-2, respectively, were designed and...

New Insights into the Formation of CH3OCH3 and CH3SCH3 without and with the Assistance of Na+ Ions and Some Implications for Interstellar Chemistry: An In Silico Approach

“…To support the outcomes obtained from the above-mentioned inspection, the FMO approach is also applied in terms of some electronic parameters such as HOMO, LUMO, their separation ( E LUMO – E HOMO = E gap ), chemical hardness (η), and electronic chemical potential (μ). − Such parameters can be seen in Table . The low E gap value infers high global chemical reactivity, as it is energetically favorable to add electrons to a high-lying LUMO to extract electrons from a low-lying HOMO and therefore to form the activated complex of any potential reaction.…”

Small molecular donor materials based on β–β-bridged BODIPY dimers with a triphenylamine or carbazole unit for efficient organic solar cells

“…A material shows high electrical conductivity due to having a small E gap value and thus illustrates easy photochemical excitation, which could only be possible because of the unrestricted and competent movement The DFT study using the molecular modelling approach facilitates a lucrative way to gain a high open-circuit voltage of the OSCs, which facilitates the decreased E gap showing a narrow band gap through appropriate molecular surgery in both the probed D-π-A structure alkene groups, which played an imperative role as bridging π-linkers. 61 Therefore, the electronic transport features were obtained from the smaller E gap value permitting the increased tunnelling of photoexcited electrons which also provided a reckonable evaluation of the CT interactions.…”

Fully-unfused electron acceptors based on a steric boron dipyrromethene (BODIPY) core for organic solar cells

“…Recently, some novel and efficient electron donor and acceptor materials have been developed based on BODIPY units. 14,[25][26][27][28][29][30] In this case, considering the advantages of the inherent high extinction coefficient of BODIPY as core, the resulting FUEAs are promising to possess strong lightharvest ability. [31][32][33] Moreover, it has been widely reported that weakening molecular coplanarity is beneficial for relieving overstrong aggregation tendency for small-molecule acceptors.…”