Recent Progress of Y6‐Derived Asymmetric Fused Ring Electron Acceptors

Advanced Functional Materials, Год журнала: 2022, Номер 32(35)

Опубликована: Июль 5, 2022

Abstract Symmetric conjugated molecules can be broken through suitable synthetic strategies to construct novel asymmetric molecules, which largely broaden the material library. In field of organic solar cells, fused‐ring electron acceptors (FREAs) with A‐DA'D‐A type backbone structure have attracted much attention and enabled power conversion efficiencies (PCE) exceeding 18%. Among them, Y6 is one most classic FREAs that derive many symmetric exhibit unique optoelectronic properties. Thus, in this review, focus on recent progress Y6‐derived containing a dipyrrolobenzothiadiazole segment, classified as following three categories: end group, central core side chain. The relationship molecular structure, properties, device performance discussed detail. Finally, future design directions challenges faced by kind photovoltaic materials are given.

Язык: Английский

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Sequential Deposition of Multicomponent Bulk Heterojunctions Increases Efficiency of Organic Solar Cells

Advanced Materials, Год журнала: 2023, Номер 35(12)

Опубликована: Янв. 18, 2023

Constructing tandem and multi-blend organic solar cells (OSCs) is an effective way to overcome the absorption limitations of conventional single-junction devices. However, these methods inevitably require tedious multilayer deposition or complicated morphology-optimization procedures. Herein, sequential utilized as simple method fabricate multicomponent OSCs with a double-bulk heterojunction (BHJ) structure active layer further improve photovoltaic performance. Two efficient donor-acceptor pairs, D18-Cl:BTP-eC9 PM6:L8-BO, are sequentially deposited form D18-Cl:BTP-eC9/PM6:L8-BO double-BHJ layer. In OSCs, light significantly improved, optimal morphology also retained without requiring more optimization involved in quaternary blends. Compared blend devices, energy loss (Eloss ) reduced by rationally matching each donor appropriate acceptor. Consequently, power conversion efficiency (PCE) improved from 18.25% for 18.69% PM6:L8-BO based binary 19.61% OSCs. contrast, D18-Cl:PM6:L8-BO:BTP-eC9 exhibited dramatically PCE 15.83%. These results demonstrate that strategy, relatively processing procedure, can potentially enhance device performance lead widespread use.

Язык: Английский

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Y‐Type Non‐Fullerene Acceptors with Outer Branched Side Chains and Inner Cyclohexane Side Chains for 19.36% Efficiency Polymer Solar Cells

Advanced Materials, Год журнала: 2023, Номер 35(10)

Опубликована: Янв. 5, 2023

Abstract Raising the lowest unoccupied molecular orbital (LUMO) energy level of Y‐type non‐fullerene acceptors can increase open‐circuit voltage ( V oc ) and thus photovoltaic performance current top performing polymer solar cells (PSCs). One viable routes is demonstrated by successful Y6 derivative L8‐BO with branched alkyl chains at outer side. This will introduce steric hindrance reduce intermolecular aggregation, open up bandgap raise LUMO level. To take further advantages influence on optoelectronic properties derivatives, two BTP‐Cy‐4F BTP‐Cy‐4Cl are designed synthesized adopting side inner cyclohexane chains. An outstanding 0.937 achieved in D18:BTP‐Cy‐4F binary blend devices along a power conversion efficiency (PCE) 18.52%. With addition BTP‐eC9 to extend absorption spectral coverage, remarkable PCE 19.36% realized finally related ternary devices, which one highest values for single‐junction PSCs present. The results illustrate great potential constructing high‐performance their PSCs.

Язык: Английский

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Controlling Morphology and Voltage Loss with Ternary Strategy Triggers Efficient All-Small-Molecule Organic Solar Cells

ACS Energy Letters, Год журнала: 2023, Номер 8(2), С. 1058 - 1067

Опубликована: Янв. 23, 2023

Herein, an emerging acceptor L8-BO as the third component was combined with B1:BO-4Cl system for constructing efficient ternary all-small-molecule organic solar cells (ASM-OSCs). Theoretical, morphological, and crystallographic studies reveal that BO-4Cl possess good compatibility, resulting in alloy-like state formation of two acceptors blends. The synergistic effect is conducive to forming favorable phase separation molecular stacking promoting charge splitting extraction, which contributes simultaneously boosting short-circuit current density fill factor. Furthermore, higher lowest unoccupied orbital energy level assist ASM-OSCs achieving lower voltage loss respect binary devices. optimal 20 wt % deliver a top-level efficiency 17.10%. This work demonstrates not only morphology but also small matrix can be well-manipulated by employing strategy.

Язык: Английский

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High‐Efficiency and Mechanically Robust All‐Polymer Organic Photovoltaic Cells Enabled by Optimized Fibril Network Morphology

Advanced Materials, Год журнала: 2022, Номер 35(9)

Опубликована: Дек. 20, 2022

All-polymer organic photovoltaic (OPV) cells possessing high performance and mechanical robustness are promising candidates for flexible wearable devices. However, developing photoactive materials with good properties so far remains challenging. In this work, a polymer donor PBDB-TF weight-average molecular weight (Mw ) is introduced to enable highly efficient all-polymer OPV featuring excellent reliability. By incorporating the high-Mw as third component into PBQx-TF:PY-IT blend, bulk heterojunction morphology finely tuned more compact π-π stacking distance, affording pathways charge transport well stress dissipation. Hence, based on ternary blend film demonstrate maximum power conversion efficiency (PCE) of 18.2% an outstanding fill factor 0.796. The cell delivers decent PCE 16.5% stability. These results present strategy address boost cells.

Язык: Английский

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

RSC Advances, Год журнала: 2023, Номер 13(11), С. 7535 - 7553

Опубликована: Янв. 1, 2023

Non-fused ring-based OSCs are an excellent choice, which is attributed to their low cost and flexibility in applications. However, developing efficient stable non-fused still a big challenge. In this work, with the intent increase Voc for enhanced performance, seven new molecules derived from pre-existing A-D-A type A3T-5 molecule proposed. Different important optical, electronic efficiency-related attributes of studied using DFT approach. It discovered that newly devised possess optimum features required construct proficient OSCs. They small band gap ranging 2.22-2.29 eV planar geometries. Six proposed have less excitation energy, higher absorption coefficient dipole moment than both gaseous solvent phases. The A3T-7 exhibited maximum improvement optoelectronic properties showing highest λmax at 697 nm lowest Ex 1.77 eV. lower ionization potential values, reorganization energies electrons interaction coefficients molecule. six developed (Voc 1.46-1.72 eV) = 1.55 eV). Similarly, almost all except W6 fill factor compared reference. This remarkable efficiency-associated parameters FF) proves these can be successfully used as advanced version terthiophene-based future.

Язык: Английский

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Optimizing Molecular Crystallinity and Suppressing Electron‐Phonon Coupling in Completely Non‐Fused Ring Electron Acceptors for Organic Solar Cells

Angewandte Chemie International Edition, Год журнала: 2024, Номер 63(22)

Опубликована: Март 19, 2024

Abstract High open‐circuit voltage ( V oc ) organic solar cells (OSCs) have received increasing attention because of their promising application in tandem devices and indoor photovoltaics. However, the lack a precise correlation between molecular structure stacking behaviors wide band gap electron acceptors has greatly limited its development. Here, we adopted an asymmetric halogenation strategy (AHS) synthesized two completely non‐fused ring (NFREAs), HF‐BTA33 HCl‐BTA33. The results show that AHS significantly enhances dipoles suppresses electron‐phonon coupling, resulting enhanced intramolecular/intermolecular interactions decreased nonradiative decay. As result, PTQ10 : realizes power conversion efficiency (PCE) 11.42 % with 1.232 V, higher than symmetric analogue F‐BTA33 (PCE=10.02 %, =1.197 V). Notably, HCl‐BTA33 achieves highest PCE 12.54 1.201 due to long‐range ordered π–π packing surface electrostatic thereby facilitating exciton dissociation charge transport. This work not only proves NFREAs is simple effective for achieving both high , but also provides deeper insights design low cost NFREAs.

Язык: Английский

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Quantum chemical analysis and molecular dynamics simulations to study the impact of electron-deficient substituents on electronic behavior of small molecule acceptors

Computational and Theoretical Chemistry, Год журнала: 2021, Номер 1204, С. 113387 - 113387

Опубликована: Июль 24, 2021

Язык: Английский

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Quantum Chemical Approach of Donor−π–Acceptor Based Arylborane–Arylamine Macrocycles with Outstanding Photovoltaic Properties Toward High-Performance Organic Solar Cells

Energy & Fuels, Год журнала: 2021, Номер 35(18), С. 15018 - 15032

Опубликована: Авг. 30, 2021

A theoretical quantum chemical investigation of D−π–A conjugated molecules based on arylborane–arylamine is proposed with the motive suggesting new organic materials for solar cells (OSCs). Optoelectronic properties and geometries donor MC1R–MC1M5 encompassing a caged ring as donor, thiophene bridge, end-capped moieties acceptor are characterized using DFT TD-DFT. Study involved forecasting photophysical descriptors such frontier molecular orbitals, ionization potential, electron affinity, electrostatic transition density matrix, binding energy (Eb), dipole moment, reorganization energy, open-circuit voltage (VOC) at ground state MPW1PW91/6-31G(d,p) basis set. By modulation groups, comprehensive analysis newly tailored conducted to reveal insight about π-conjugation contribution performance OSCs. The structure–property relationship reference (MC1R) contrasted organized (MC1M1–MC1M5). strategy effectively enhanced absorption (λmax) all designed molecules. MC1M1 exhibited λmax 530 nm in DCM (dichloromethane) solvent lowest band gap (2.86 eV) excitation 2.34 eV. An elevated VOC 2.27 eV revealed by MC1M4. MC1M2 presented 0.42 highest hole mobility ascertained because their low values which validated preferrable photovoltaic compared MC1R. showed (λe = 0.009301 eV), demonstrated (λh 0.001 874 eV). Our comparative outcomes be possible choices designing efficient

Язык: Английский

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Learning from Fullerenes and Predicting for Y6: Machine Learning and High‐Throughput Screening of Small Molecule Donors for Organic Solar Cells

Energy Technology, Год журнала: 2022, Номер 10(6)

Опубликована: Апрель 1, 2022

In recent years, research on the development of organic solar cells has increased significantly. For last few machine learning (ML) been gaining attention scientific community working cells. Herein, ML is used to screen small molecule donors for models are fed by molecular descriptors. Various employed. The predictive capability a support vector found be higher (Pearson's coefficient = 0.75). best with fullerene acceptors selected pair Y6. New also designed taking into account quantum chemistry principles, using building units that searched through similarity analysis. Their energy levels and power conversion efficiencies (PCEs) predicted. Efficient PCE > 13% selected. This design discovery pipeline provides an easy fast way select potential candidates experimental work.

Язык: Английский

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