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

Polymers, Год журнала: 2025, Номер 17(1), С. 115 - 115

Опубликована: Янв. 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.

Язык: Английский

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In-situ understanding on the formation of fibrillar morphology in green solvent processed all-polymer solar cells

National Science Review, Год журнала: 2024, Номер 11(12)

Опубликована: Ноя. 4, 2024

ABSTRACT Solid additive engineering has been intensively explored on morphology tuning for highly efficient all-polymer solar cells (all-PSCs), a promising photovoltaic technology towards multi-scenario application. Although the nano-fibrillar network of active layer induced by treatment is confirmed as key factor power conversion efficiency (PCE) all-PSCs, its formation mechanism not clearly revealed, lack precise and convincing real-time observation crystallization phase separation during liquid-to-solid transition process spin-coating. Herein we report an in-situ grazing incidence wide-angle/small-angle X-ray scattering (GIWAXS/GISAXS) screening that reveals fact naphthalene derived solid additives can suppress aggregation polymer acceptor (PY-IT) at beginning stage spin coating, which provides sufficient time space donor (PM6) to form fibril structure. Moreover, guided this knowledge, ternary system proposed, achieves cutting-edge level PCEs both small-area (0.04 cm2) (also decent operational stability) large-area (1 devices.

Язык: Английский

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Achieving 20% Toluene-Processed Binary Organic Solar Cells via Secondary Regulation of Donor Aggregation in Sequential Processing

Nano-Micro Letters, Год журнала: 2025, Номер 17(1)

Опубликована: Апрель 1, 2025

Sequential processing (SqP) of the active layer offers independent optimization donor and acceptor with more targeted solvent design, which is considered most promising strategy for achieving efficient organic solar cells (OSCs). In SqP method, favorable interpenetrating network seriously depends on fine control bottom swelling. However, choice solvent(s) both have been mostly based a trial-and-error manner. A single often cannot achieve sufficient yet not excessive swelling, has long difficulty in high OSCs. Herein, two new isomeric molecules are introduced to fine-tune nucleation crystallization dynamics that allows judicious over swelling layer. The strong non-covalent interaction between molecule materials provides an excellent driving force optimize swelling-process. Among them, dipole moment promotes earlier PM6 extended time during SqP, improving bulk morphology vertical phase segregation. As result, champion efficiencies 17.38% 20.00% (certified 19.70%) achieved PM6/PYF-T-o (all-polymer) PM6/BTP-eC9 devices casted by toluene solvent.

Язык: Английский

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Progress in the Stability of Small Molecule Acceptor‐Based Organic Solar Cells

Advanced Materials, Год журнала: 2024, Номер unknown

Опубликована: Дек. 5, 2024

Abstract Significant advancements in power conversion efficiency have been achieved organic solar cells with small molecule acceptors. However, stability remains a primary challenge, impeding their widespread adoption renewable energy applications. This review summarizes the degradation of different layers within device structure under varying conditions, including light, heat, moisture, and oxygen. For photoactive layers, chemical pathways polymer donors acceptors are examined detail, alongside morphological bulk heterojunction structure, which plays crucial role performance. The mechanisms commonly used anode cathode interlayers electrodes addressed, as these significantly influence overall stability. Mitigation methods for identified provided each section to offer practical insights improving longevity. Finally, an outlook presents remaining challenges achieving long‐term stability, emphasizing research directions that require further investigation enhance reliability performance real‐world

Язык: Английский

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Stability of Intrinsically Stretchable Polymer Photovoltaics: Fundamentals, Achievements, and Perspectives

Progress in Polymer Science, Год журнала: 2024, Номер unknown, С. 101899 - 101899

Опубликована: Окт. 1, 2024

Язык: Английский

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Indoor organic photovoltaics for low-power internet of things devices: Recent advances, challenges, and prospects

Chemical Engineering Journal, Год журнала: 2024, Номер 497, С. 154944 - 154944

Опубликована: Авг. 17, 2024

Язык: Английский

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Sequentially deposited organic photovoltaics via self-solvent vapor annealing

Journal of Energy Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

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Transforming semitransparent organic photovoltaics into catalysts for positive emotional responses

Applied Physics Letters, Год журнала: 2025, Номер 126(7)

Опубликована: Фев. 17, 2025

Semitransparent organic photovoltaics (ST-OPVs), due to their transparency, can be integrated into building designs through (BIPVs) address the energy challenges posed by urbanization. While current BIPVs such as photovoltaic windows meet criteria for both power supply and urban esthetics, a crucial aspect remains underexplored in existing research: human experience under modulated sunlight. In this study, we conduct systematic analysis of interaction between spectrally tunable ST-OPV materials cognition emotion, proposing framework selecting user-friendly ST-OPVs. Our results reveal that predominant high-performance donor polymer negatively influence user emotions. To issue, employed spectrum shaping optical structures optimize device transmittance color rendering properties, achieve desirable emotion feedback. This groundbreaking study delves devices, playing role addressing demands urbanization paving way realization smart, sustainable, healthy cities.

Язык: Английский

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Recent Advances in Thermo- and Photostabilities of Organic Solar Cells: Material Design and Morphology Control

Polymer science & technology., Год журнала: 2025, Номер unknown

Опубликована: Фев. 27, 2025

Язык: Английский

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Achieving 19.2% High‐Efficiency Ternary Organic Solar Cells Through Novel Sequential Processing Technique With Hydrocarbon Solvent

SusMat, Год журнала: 2025, Номер unknown

Опубликована: Апрель 8, 2025

ABSTRACT In organic solar cells (OSCs), typical methods for fabricating the ternary active layer are blend‐casting (BC) or two‐step sequential processing (SqP‐2T), where all three at least two components blended together, which affect crystallization/aggregation behavior of each other during solid‐film formation. Herein, we introduce first time a novel three‐step method, termed SqP‐3T, utilizes hydrocarbon solvents to prepare high‐quality layers. Compared SqP‐2T and BC techniques, SqP‐3T yields an with higher acceptor ratio on its upper surface exhibits longer crystal coherence length in out‐of‐plane direction (21.42 Å). These characteristics enhance charge transport collection. Additionally, devices demonstrate nearly twofold increase transient photovoltage decay constant (up 2.82 µs) that is related carrier lifetime certain extent, leading reduced recombination losses. Consequently, device achieves high fill factor (75.67%) short‐circuit current density (27.35 mA/cm 2 ), contributing power conversion efficiency 19.2%. results highlight potential multi‐step deposition process production multicomponent OSCs, could be adopted by more material systems future.

Язык: Английский

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