Li, Guoping’s team published research in Energy & Environmental Science in 15 | CAS: 617-52-7

Energy & Environmental Science published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C7H10O4, Category: esters-buliding-blocks.

Li, Guoping published the artcileNon-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells, Category: esters-buliding-blocks, the publication is Energy & Environmental Science (2022), 15(2), 645-659, database is CAplus.

The rational mol. design of non-fullerene acceptors (NFAs) in organic solar cells (OSCs) can profoundly influence the photovoltaic (OPV) performance. To date, NFA fluorination has proven beneficial to cell performance. However, there is a lack of comprehensive understanding of how various fluorination modalities influence film morphol., carrier mobility, mol. packing, other structural properties, electronic structure, exciton separation, and charge transport, that determine ultimate cell efficiency. Here, we compare two types of end group (EG) fluorination patterns on Y6-based A-DAD-A cores, resulting in highly efficient NFAs: direct skeletal fluorination (BTF) and indirect trifluoromethyl fluorination (BTFM). These two patterns induce distinctive behaviors in the active layer blends with a chlorinated donor polymer D18-Cl and the additive, 1-chloronaphthalene, affording high PCE values of 17.30% (BTF + additive) and 17.10% (BTFM, no-additive). The BTFvs. BTFM OSC performance trends can be correlated with diffraction-derived differences in mol. packing. D. functional theory (DFT) reveals remarkably low internal reorganization energies and high electronic coupling between NFA dimers, greater and more numerous than in other NFAs reported to date, thus providing extended 3D charge transport networks in the thin film crystalline domains. Transient absorption spectroscopy reveals that hole transfer from the acceptor to the donor occurs in <300 fs and that photoexcited carriers persist for hundreds of ns in each blend film. The contrasting role of the additive in BTF and BTFM cells is further clarified by recombination dynamics anal. using in situ photocurrent and impedance spectroscopy. Overall, this work provides guidance for developing new NFAs via direct and indirect fluorination strategies for high efficiency OSCs.

Energy & Environmental Science published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C7H10O4, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics