Exploring the impact of cyano substitutions in non-fullerene acceptors for enhanced organic solar cell performance: A DFT and TD-DFT investigation

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: 1246, P. 115102 - 115102

Published: Feb. 3, 2025

Language: Английский

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Developed non-fullerene acceptors with modified BTPT-OD donor core: A DFT and TD-DFT methods to boost organic solar cell performances

Organic Electronics, Journal Year: 2025, Volume and Issue: unknown, P. 107226 - 107226

Published: Feb. 1, 2025

Language: Английский

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Two compatible M-series acceptors form a well-mixed phase with improved exciton diffusion for efficient polymer solar cells

Science China Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 6, 2024

Language: Английский

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Efficient and Stable Organic Solar Cells Achieved by Synergistic Optimization of Extended End‐Capped Groups and Fluorinated Quinoxaline Central Cores in Nonfullerene Acceptors

Advanced Energy Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 14, 2024

Abstract Molecular stacking behavior exerts a significant influence on the blend film morphology of organic solar cells (OSCs), further affecting device performance and stability. Modulation molecular structure, such as central unit end‐group, can profoundly impact this process. Herein, four quinoxaline (Qx)‐fused‐core‐based non‐fullerene acceptors (NFAs), Qx‐N4F Qx‐ o/m/p ‐N4F are synthesized combining π‐extended end‐groups optimized units. The isomeric fluorinated units lead to changes in local dipole moments electrostatic potential distribution, which influences pattern photoelectronic properties NFAs. Consequently, binary ternary devices based PM6:Qx‐ p achieve superior power conversion efficiencies (PCE) up 18.75% 19.48%, respectively. Grazing‐incidence wide‐angle X‐ray scattering (GIWAXS) characterization reveals ‐N4F's stronger crystallinity, aggregation, donor–acceptor interactions, separately enhance short‐circuit current density ( J SC ) fill factor (FF) through higher phase purity tighter maintaining more interfaces. Furthermore, ‐N4F‐based demonstrate exceptional thermal stability, retaining 93.2% initial PCE value after 3000 h heating due best morphological stability with most stable structure. These results underscore significance synergistic optimization NFAs conjugation expansion halogenation substitution for obtaining efficient OSCs.

Language: Английский

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Piperazine‐Functionalized Arylene Diimides as Electron Transport Layers for High‐Efficiency and Stable Organic Solar Cells

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 6, 2024

Abstract In organic solar cells (OSCs), electron transport layer (ETL) materials are typically designed with highly polar groups to lower the work function (WF) of cathode and ensure solvent orthogonality. However, increased surface energy associated these results in significant hygroscopicity poor interfacial contact active layer, posing a challenge for interlayer engineering that must balance device efficiency stability. Herein, two novel arylene diimides (PDI‐P NDI‐P) developed side chains end‐capped piperazine groups, as opposed commonly used amine groups. As ETLs, not only exhibit excellent conductivity but also effectively WF silver cathode. Compared amine‐functionalized perylene diimide (PDI‐N), piperazine‐functionalized (PDI‐P) exhibits reduced hygroscopicity, resulting improved wettability decreased moisture sensitivity. These characteristics contribute enhanced The PDI‐P ETL is compatible various high‐performance acceptor materials, achieving high efficiencies across wide thickness range ≈7 30 nm, maximum 19.8%. findings highlight great potential an high‐efficiency stable OSCs.

Language: Английский

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Sn²⁺-coordinated polyethylenimine as an electron transport layer for high-efficiency and stable inverted organic solar cells

Journal of Materials Chemistry C, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Polyethylenimine (PEI) modified with tin( ii ) ions serves as an effective electron transport layer in inverted polymer solar cells, achieving a power conversion efficiency (PCE) of 17.5%, which exceeds the 15.7% PCE traditional PEI-based devices.

Language: Английский

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Minimizing Energy Loss by Designing Multifunctional Solid Additives to Independent Regulation of Donor and Acceptor Layers for Efficient LBL Polymer Solar Cells

Advanced Science, Journal Year: 2025, Volume and Issue: unknown

Published: March 20, 2025

Solid additives are crucial in layer-by-layer (LBL) polymer solar cells (PSCs). Despite its importance, the simultaneous application of solid into both donor and acceptor layers has been largely overlooked. In this work, two multifunctional actively designed, investigated synergistic effect on layers. Incorporating layer could effectively enhance aggregation molecular stacking polymer, leading to reduced energy disorder minimizing ΔE2. When introduced layer, they just play a role optimizing morphology, thereby reducing ΔE3. Excitedly, addition produced for decreasing ΔE2 ΔE3 simultaneously, especially adding SA2, thus enabling an excellent power conversion efficiency (PCE) 19.95% (certified as 19.68%) with open-circuit voltage (Voc) 0.921 V, short circuit current density (Jsc) 27.08 mA cm-2 fill factor (FF) 79.98%. The work highlights potential independently regulating properties layers, which is expected promising approach further developing higher performance PSCs.

Language: Английский

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Optimized Self‐Assembled Monolayer Coverage using Molybdenum Trioxide‐Modified Indium Tin Oxide for High‐Performance Organic Solar Cells

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 4, 2025

Abstract Self‐assembled monolayers (SAMs) have recently emerged as promising candidates for interfacial materials in organic photovoltaics (OPVs). However, the quality and integrity of SAM growth are significantly influenced by surface morphology indium tin oxide (ITO) substrates, which can compromise performance reproducibility OPVs. To achieve controlled high‐quality SAMs assembly, this study presents an effective strategy to eliminate sensitivity polycrystalline ITO depositing amorphous molybdenum trioxide (MoO 3 ) thin layer on top. The application MoO homogenize roughness circumvent issues related preferential grain orientation distinct boundaries associated with ITO. This results a more uniform denser coverage compared direct bare Consequently, resulting OPVs based PM6/BTP‐eC9 system exhibit outstanding power conversion efficiency 19.9% (certified at 19.3%), primarily due reduced defects optimized active morphology. More importantly, introduction between enhances long‐term stability devices those solely SAMs. progress highlights importance refining microstructure facilitate favorable formation subsequently construct high‐performance

Language: Английский

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Benzo[b]thiophene-Series Solid Additives for Improving the Morphology and Photovoltaic Performance of Organic Solar Cells

ACS Applied Polymer Materials, Journal Year: 2025, Volume and Issue: unknown

Published: May 20, 2025

Language: Английский

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Cross-Linking-Integrated Sequential Deposition: A Method for Efficient and Reproducible Bulk Heterojunctions in Organic Solar Cells

ACS Applied Materials & Interfaces, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 4, 2024

The formation of bulk heterojunctions (BHJs) through sequential deposition (SqD) polymer donor and nonfullerene acceptor (NFA) solutions offers advantages over the widely used single-step polymer:NFA blend (BSD). To enhance application SqD in organic solar cell production, it is crucial to improve reproducibility stability while maintaining a high efficiency. This study introduces novel method termed cross-linking-integrated (XSqD) for fabricating efficient reproducible BHJs. In this method, polymers are cross-linked using 2Bx-4EO or 2Bx-8EO cross-linkers, which solvent resistance layer against solvents NFAs. approach addresses challenge selecting suitable NFAs, major obstacle SqD-processed OSCs. utilization XSqD leads significant increase compared that conventional SqD, coupled with high-power conversion efficiency (PCE) 14.1%. Furthermore, devices exhibit superior stability, showing only 1% 6% reductions their initial PCE after thermal stress at 80 120 °C 50 h, respectively.

Language: Английский

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