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

---

Pressure‐Controlled Nanoimprint Lithography Achieves over 20% Efficiency in Organic Solar Cells

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

Published: Feb. 9, 2025

Abstract Nanoimprint lithography (NIL) offers unprecedented control over active layer morphology in organic solar cells (OSCs), yet optimal processing conditions remain critical for maximizing device performance. Here, pressure‐dependent NIL fabrication of ordered interdigitated heterojunction structures is demonstrated D18/L8‐BO‐based OSCs, achieving exceptional performance through systematic pressure optimization. At an 50 bar, devices exhibit record‐setting metrics: 20.08% power conversion efficiency, 27.34 mA cm −2 short‐circuit current density, and 80.34% fill factor. The NIL‐patterned layers form well‐defined, solvent‐resistant nanopillar arrays (8.7–29 nm height) with enhanced light‐harvesting capabilities. Detailed characterization reveals improved molecular ordering both donor acceptor phases, while advanced spectroscopy demonstrates accelerated charge transfer dynamics reduced exciton dissociation diffusion times. This pressure‐optimized strategy simultaneously enhances the optical, morphological, electronic properties establishing a promising pathway toward commercial‐scale photovoltaic technology.

Language: Английский

---

Central fluorination strategy of biphosphonic acid molecule for self-assembled monolayer enables efficient organic solar cells

Science China Materials, Journal Year: 2025, Volume and Issue: unknown

Published: March 14, 2025

Language: Английский

---

Rational halogenation on aromatic-core of tethered small molecule acceptors for high-performance polymer solar cells

Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 162657 - 162657

Published: April 1, 2025

Language: Английский

---

Synergistically Halogenated and Methoxylated Thiophene Additive Enables High‐Performance Organic Solar Cells

Small, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 7, 2025

Abstract Morphology control plays a key role for improving efficiency and stability of bulk heterojunctions (BHJ) organic solar cells (OSCs). Halogenation methoxylation are two separate ways successfully adopted in additives morphology optimization. In this work, these strategies combined together. A series halogenated methoxylated thiophenes is designed synthesized as volatile to the evolution BHJ morphology. Specifically, addition 2,5‐diiodo‐3,4‐dimethoxythiophene (MT‐I) prominently improves performance photostability OSCs. Computational simulations reveal noncovalent interactions MT‐I with active layer materials that corresponds inhibition excessive aggregation behavior PM6 Y6 during film‐forming process, facilitating favorable phase separation enhanced molecular stacking. Consequently, PM6:Y6‐based binary OSCs treatment achieves high PCE 17.93%. Furthermore, demonstrates broad feasibility across diverse high‐efficiency OSCs, leading superior photovoltaic (PCE over 18%). This study offers valuable guidance design application high‐performance future endeavors.

Language: Английский

---

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

---

Improved Interface Engineering of Organic Photovoltaic Cells: Strategies for Enhancing Charge Separation and Transport Efficiency

Highlights in Science Engineering and Technology, Journal Year: 2025, Volume and Issue: 125, P. 148 - 154

Published: Feb. 18, 2025

This article investigates various strategies aimed at enhancing the efficiency of charge separation and transportation in organic photovoltaic (OPV) cells, with a specific emphasis on interface engineering. One primary challenges faced by OPVs is restricted carrier mobility high exciton binding energy, which can hinder effective transportation. To tackle these challenges, this highlights several optimization techniques including adjusting energy levels electrode-organic material interfaces, employing surface passivation to minimize defects, incorporating nanostructures increase interfacial area for more efficient transport. Furthermore, it discusses selection materials electron hole transport layers, emphasizing novel doping methods that enhance both conversion device stability. The integration nanomaterials also examined as means manipulate morphology, leading significant enhancements separation, transportation, overall performance - all contributing towards advancing OPV technologies.

Language: Английский

---

Precise Control Over Crystallization Kinetics by Combining Nucleating Agents and Plasticizers for 20.1% Efficiency Organic Solar Cells

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

Published: March 11, 2025

Abstract Obtaining controllable active layer morphology plays a significant role in boosting the device performance of organic solar cells (OSCs). Herein, quaternary strategy, which incorporates polymer donor D18‐Cl and small molecule acceptor AITC into host D18:N3, is employed to precisely modulate crystallization kinetics for favorable evolution within layer. In situ spectroscopic measurements during film‐formation demonstrate that while works as nucleator promote aggregation D18 foster donor/acceptor intermixing, has exactly opposite impact on N3 intermixing acceptor, working plasticizer. The mutually compensational effect dual‐guests, result, enables synergistic control over fibrillar networks, multi‐length scale morphology, vertical phase distribution, leading optimized 3D greatly enhanced exciton dissociation charge transfer, suppressed recombination, reduced energy loss. Consequently, OSCs based D18:D18‐Cl:N3:AITC achieved an excellent power conversion efficiency 20.1%, represents one highest efficiencies single‐junction OSCs. This work presents effective strategy regulate toward advanced high‐performance

Language: Английский

---

Green-Solvent-Processed All-Polymer Solar Cells with Enhanced Efficiency and Stability through Molecular Design and Side-Chain Engineering

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

Published: March 12, 2025

Green-solvent-processed all-polymer solar cells (AP-SCs) are regarded as an excellent candidate for renewable energy due to their better stability and eco-friendly features. Two polymers, PYF-U PYF-BO, have been designed by introducing a Y-series derivative with difluoro-substituted dicyanindenone units difluorobenzotriazole the first second electron-deficient (A) units, respectively. The introduction of two additional F atoms on leads more coplanar backbone because noncovalent interactions. Compared polymer undecyl chains thiophene, PYF-BO 2-butyloctyl exhibits stronger intermolecular aggregation during film-forming process, dominant face-on molecular packing, higher crystallinity in films. Therefore, PM6:PYF-BO AP-SC achieves efficiency 15.38%, outperforming that PM6:PYF-U device (14.27%). Moreover, former longer T80 lifetime (1789 h) than latter (826 under thermal aging at 65 °C packing morphology. Our research demonstrates combining interactions enhance coplanarity polymeric side-chain engineering optimize blend-film morphology is one efficient strategies developing high-performance acceptors.

Language: Английский

---

Exploring the Impact of Heavy Atom Substitutions (Se, Te) on the CB16-Based Non- Fullerene Acceptor for High-Performance Organic Solar Cells: DFT and TD-DFT Study

Journal of Fluorescence, Journal Year: 2025, Volume and Issue: unknown

Published: March 27, 2025

Language: Английский

---