Isomerization Engineering of Solid Additives Enables Highly Efficient Organic Solar Cells via Manipulating Molecular Stacking and Aggregation of Active Layer

Advanced Materials, Journal Year: 2024, Volume and Issue: 36(33)

Published: June 20, 2024

Morphology control is crucial in achieving high-performance organic solar cells (OSCs) and remains a major challenge the field of OSC. Solid additive an effective strategy to fine-tune morphology, however, mechanism underlying isomeric solid additives on blend morphology OSC performance still vague urgently requires further investigation. Herein, two based pyridazine or pyrimidine as core units, M1 M2, are designed synthesized explore working OSCs. The smaller steric hindrance larger dipole moment facilitate better π-π stacking aggregation M1-based active layer. M1-treated all-small-molecule OSCs (ASM OSCs) obtain impressive efficiency 17.57%, ranking among highest values for binary ASM OSCs, with 16.70% M2-treated counterparts. Moreover, it imperative investigate whether isomerization engineering works state-of-the-art polymer D18-Cl:PM6:L8-BO-based devices achieve exceptional 19.70% (certified 19.34%), work provides deep insights into design clarifies potential optimizing device through additives.

Language: Английский

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Exploring the Impact of Structural Modifications of Phenothiazine-Based Novel Compounds for Organic Solar Cells: DFT Investigations

Polymers, Journal Year: 2025, Volume and Issue: 17(1), P. 115 - 115

Published: Jan. 5, 2025

This paper explores a novel group of D-π-A configurations that has been specifically created for organic solar cell applications. In these material compounds, the phenothiazine, furan, and two derivatives thienyl-fused IC act as donor, π-conjugated spacer, end-group acceptors, respectively. We assess impact substituents by introducing bromine atoms at potential substitution sites on each acceptor (EG1 EG2). With donor π-bridge held constant, we have employed density functional theory time-dependent DFT simulations to explore photophysical optoelectronic properties tailored compounds (M1–M6). demonstrated how structural modifications influence materials cells. Moreover, all proposed exhibit greater Voc exceeding 1.5 V, suitable HOMO-LUMO energy gap (2.14–2.30 eV), higher dipole moments (9.23–10.90 D). Various decisive key factors are crucial exploring compounds—frontier molecular orbitals, transition matrix, electrostatic potential, open-circuit voltage, maximum absorption, reduced gradient, charge transfer length (Dindex)—were also explored. Our analysis delivers profound insights into design principles optimizing performance applications based halogenated compounds.

Language: Английский

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Post-Treatment Free Yttrium Phosphotungstate Anode Interfacial Material for Organic Solar Cells with 20.55% Efficiency

ACS Energy Letters, Journal Year: 2025, Volume and Issue: unknown, P. 2045 - 2051

Published: April 1, 2025

Language: Английский

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Central core regulation by methoxy in quinoxaline-based non-fullerene acceptors for over 19% efficiency organic solar cells

Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 159972 - 159972

Published: Jan. 1, 2025

Language: Английский

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Suppressing Exciton–Vibration Coupling via Intramolecular Noncovalent Interactions for Low‐Energy‐Loss Organic Solar Cells

Angewandte Chemie International Edition, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 3, 2024

Minimizing energy loss is crucial for breaking through the efficiency bottleneck of organic solar cells (OSCs). The main mechanism can be attributed to non-radiative recombination (ΔEnr) that occurs due exciton-vibration coupling. To tackle this challenge, tuning intramolecular noncovalent interactions strategically utilized tailor novel fused ring electron acceptors (FREAs). Upon comprehensive analysis both theoretical and experimental results, approach effectively enhance molecular rigidity, suppress structural relaxation, reduce exciton reorganization energy, weakens coupling strength. Consequently, binary OSC device based on Y-SeSe, which features dual strong Se ⋅ O interactions, achieves an outstanding power conversion (PCE) 19.49 %, accompanied by extremely small ΔEnr 0.184 eV, much lower than those Y-SS Y-SSe devices with weaker interactions. These achievements not only set record selenium-containing OSCs, but also mark lowest reported value among high-performance devices. Furthermore, ternary blend showcases a remarkable PCE 20.51 one highest PCEs single-junction OSCs. This work demonstrates effectiveness in suppressing coupling, thereby achieving low-energy-loss high-efficiency

Language: Английский

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Effects of Alkyl Spacer Length in Carbazole‐Based Self‐Assembled Monolayer Materials on Molecular Conformation and Organic Solar Cell Performance

Advanced Science, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 4, 2024

Abstract Carbazole‐based self‐assembled monolayer (SAM) materials as hole transport layers (HTL) have led organic solar cells (OSCs) to state‐of‐the‐art photovoltaic performance. Nonetheless, the impact of alkyl spacer length SAMs remains inadequately understood. To improve knowledge, four dichloride‐substituted carbazole‐based (from 2Cl‐2PACz 2Cl‐5PACz) with lengths 2–5 carbon atoms is developed. Single crystal analyses reveal that shorter spacers exhibit stronger intermolecular interactions and denser packing. The molecular conformation significantly impacts their footprint coverage on ITO. These factors result in highest lowest for 2Cl‐3PACz OSCs based PM6:L8‐BO HTL achieved high efficiencies 18.95% 18.62% without methanol rinsing ITO/SAMs anodes, corresponding multilayer structures, respectively. In contrast, utilizing other showed decreased increased. superior performance can be attributed its spacer, which reduces series resistance, tunneling distance, barrier. This work provides valuable insights into design high‐performance OSCs.

Language: Английский

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Strategies to achieve efficiencies of over 19% for organic solar cells

Cell Reports Physical Science, Journal Year: 2025, Volume and Issue: 6(1), P. 102390 - 102390

Published: Jan. 1, 2025

Language: Английский

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Conjugated π-Extension of Small Molecular Nonfullerene Acceptor for Efficient Ternary Organic Solar Cells with an Efficiency of 19.10%

Energy & Fuels, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 14, 2025

In this study, we have successfully incorporated a small molecular acceptor, Y-LC, with conjugated π-extension as secondary acceptor in the PM6:BTP-eC9-based organic photovoltaics. The performance of device was significantly promoted from 18.45% binary system PM6:BTP-eC9 to over 19% ternary minimal Y-LC loading. This enhancement can be attributed alloy-like structures acceptors and optimized active layer morphology, which leads improved hole electron mobilities, thereby suppressing charge recombination, finally resulting higher photocurrent solar cells. Furthermore, complementary absorption is observed PM6 BTP-eC9, broaden spectrum photoactive enable more photons sunlight absorbed. Additionally, facilitates efficient transfer donor by forming cascade energy levels between BTP-eC9. These advantages collectively contribute superior obtained work also highlights that adoption nonfullerene suitable π-extensions minor additive photovoltaics powerful approach for achieving state-of-the-art

Language: Английский

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PARAMETERS CRITICALLY AFFECTING THE OPEN CIRCUIT VOLTAGE OF AN ORGANIC SOLAR CELL

Heliyon, Journal Year: 2025, Volume and Issue: 11(4), P. e42684 - e42684

Published: Feb. 1, 2025

Language: Английский

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Strategies and Mechanisms To Minimize Energy Loss in Non-Fullerene Bulk Heterojunction Organic Solar Cells: Experimental and Computational Approaches

Energy & Fuels, Journal Year: 2025, Volume and Issue: unknown

Published: March 6, 2025

Language: Английский

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