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RESEARCH PAPER · Energy & Environmental Science · 2022

Identifying structure–absorption relationships and predicting absorption strength of non-fullerene acceptors for organic photovoltaics

Jun Yan, Xabier Rodríguez‐Martínez, Drew Pearce, Hana Douglas, Danai Bili, Mohammed Azzouzi, Flurin D. Eisner, Alise Virbule, Elham Rezasoltani, Valentina Belova, Bernhard Dörling, Sheridan Few, Anna A. Szumska, Xueyan Hou, Guichuan Zhang, Hin‐Lap Yip, Mariano Campoy‐Quiles, Jenny Nelson

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Identifying structure–absorption relationships and predicting absorption strength of non-fullerene acceptors for organic photovoltaicsOriginalAsymmetric side-chain substitution enables a 3D network acceptor with hydrogen bond assisted crystal packing and enhanced electronic coupling for efficient organic solar cells147Opportunities and challenges for machine learning to select combination of donor and acceptor materials for efficient organic solar cells25Active Discovery of Donor:Acceptor Combinations For Efficient Organic Solar Cells10Increasing Molecular Planarity through Donor/Side‐Chain Engineering for Improved NIR‐IIa Fluorescence Imaging and NIR‐II Photothermal Therapy under 1064 nm121Increasing Molecular Planarity through Donor/Side‐Chain Engineering for Improved NIR‐IIa Fluorescence Imaging and NIR‐II Photothermal Therapy under 1064 nm23Laminated Organic Photovoltaic Modules for Agrivoltaics and Beyond: An Outdoor Stability Study of All‐Polymer and Polymer:Small Molecule Blends15Ternary PM6:Y6 Solar Cells with Single‐Walled Carbon Nanotubes7Homoconjugation effects in triptycene based organic optoelectronic materials37Machine-learning-guided prediction of photovoltaic performance of non-fullerene organic solar cells using novel molecular and structural descriptors51Side-chain engineering of nonfullerene small-molecule acceptors for organic solar cells132The impact of side chain elongation from the Y6 to Y6-12 acceptor in organic solar cells: a fundamental study from molecules to devices13High‐Performance Organic Solar Cells Containing Pyrido[2,3‐ b ]quinoxaline‐Core‐Based Small‐Molecule Acceptors with Optimized Orbit Overlap Lengths and Molecular Packing119High‐Performance Organic Solar Cells Containing Pyrido[2,3‐b]quinoxaline‐Core‐Based Small‐Molecule Acceptors with Optimized Orbit Overlap Lengths and Molecular Packing17Vacuum deposited organic solar cells with BTIC-H as A–D–A non-fullerene acceptor4From Solution to Thin Film: Molecular Assembly of π-Conjugated Systems and Impact on (Opto)electronic Properties290Impact of Cyano and Fluorine Group Functionalization on the Optoelectronic and Photovoltaic Properties of Donor-Acceptor-π-Acceptor Benzothiadiazole Derived Small Molecules: A DFT and TD-DFT Study2Influence of the number and type of the electron-withdrawing groups of the benzene substituted perylene diimide at the imide position on the optoelectronic performance in the solution/solid1Spectrum on demand light source (SOLS) for advanced photovoltaic characterization1Halogenated Nonfused Ring Electron Acceptor for Organic Solar Cells with a Record Efficiency of over 17%107Combinatorial screening of wide band-gap organic solar cell materials with open-circuit voltage between 1.1 and 1.4 V19Two-dimensional carbon/boron nitrides: modification, machine learning and beyond9Benzobisthiadiazole-Based Small Molecular Near-Infrared-II Fluorophores: From Molecular Engineering to Nanophototheranostics126Designing Thieno[3,4‑ c ]pyrrole-4,6-dione Core-Based, A2–D–A1–D–A2‑Type Acceptor Molecules for Promising Photovoltaic Parameters in Organic Photovoltaic Cells25Tailoring the Electron‐Deficient Central Core on Fused‐Ring Nonfullerene Acceptors: Deciphering the Relationships Between Structure, Property, and Photovoltaic Performance15A Simple and Promising Prediction Model to Analyze the Optical Properties of Organic Photovoltaic Materials3Infrared Microscopy: A Multidisciplinary Review of Techniques, Applications, and Ethical Dimensions5Accelerating the discovery of acceptor materials for organic solar cells by deep learning29Asymmetric π‐Bridge Strategy Regulating Film‐Forming Kinetics for Over 19% Efficiency Organic Solar Cells13Predictive Modeling and Design of Organic Solar Cells: A Data-Driven Approach for Material Innovation19Comparative analysis of search approaches to discover donor molecules for organic solar cells0Machine Learning Approaches in Polymer Science: Progress and Fundamental for a New Paradigm86High-performance binary organic solar cells by simultaneously enhancing exciton diffusion and charge transport in small molecule acceptors16Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding24EFTGAN: Elemental features and transferring corrected data augmentation for the study of high-entropy alloys20Strategies and Mechanisms To Minimize Energy Loss in Non-Fullerene Bulk Heterojunction Organic Solar Cells: Experimental and Computational Approaches11Three sample-sparing techniques to estimate the molar absorption coefficient of luminescent dyes2Hybrid Functional DFTB Parametrizations for Modeling Organic Photovoltaic Systems3Role of Thiophene-Based Halogenated Non-Fused Ring Containing Acceptor Molecules for Efficient Organic Photovoltaics3Machine Learning-Empowered Plastic-Derived Porous Carbons for High-Performance CO 2 Capture17Applications of QSPR and Machine Learning in Molecular Photonics9Photon‐Trapping Cu 2 S Architectures for Next‐Generation Solar Thermal Conversion0Asymmetric Side-Group Engineering of Nonfused Ring Electron Acceptors for High-Efficiency Thick-Film Organic Solar Cells13Dark Side of Organic Solar Cells: How Triplet Excitons Shape Charge Recombination and Efficiency Limits2From fragments to function: data-driven design of high-performance non-fullerene acceptors for organic photovoltaics2Decoding non-fullerene acceptors for organic solar cells: a theoretical structure–property–performance perspective1Side-group engineering at sp 3 -bridging carbons for modulating oscillator strength in rigid π-conjugated optical materials0Shaping the Future of Photovoltaics: Advances in Non-Fullerene Acceptors and Tandem Organic Solar Cells2Tailoring transition intensity of ruthenium(II) complexes with π-elongated phenyl ligands: experimental and computational insights0A “Jack-of-All-Trades” Phototheranostic System Enabled by Strategic Regulation of Ferroptosis and PANoptosis for Cancer Therapy3Navigating high-dimensional processing parameters in organic photovoltaics via a multitier machine learning framework3Molecular factors controlling charge pair generation in organic photovoltaic materials4Physics-Guided Inverse Design of Nonfullerene Acceptors via a Deep-Learning-Accelerated Genetic Algorithm0The Emerging Role of Solid Additives in Advancing Stability and Performance of Organic Solar Cells2When Poor Exciton Dissociation Limits Photocurrents in Organic Solar Cells: Why Low Offset Non‐Fullerene Acceptor Blends Can't Be Efficient6Concurrent Optimization of Device Architecture, Transport Layers, and Active Layer for Organic Photovoltaics by Machine Learning0CoN-Mn3O4 heterojunctions encapsulated by bamboo-like carbon nanotubes for enhanced bifunctional electrocatalysis in zinc-air batteries0Theoretical Insights into the Electronic Properties and Charge Transfer Dynamics of Y6/PBDF‐NS Organic Solar Cells0Toward in-line monitoring of the microstructure of organic semiconductor materials for photovoltaic applications via spectroscopic ellipsometry0Cyclization Matters: Structure–Property Relationship in π‐Conjugated Donor–Acceptor Macrocycle Versus Its Linear Analogue0

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  1. Asymmetric side-chain substitution enables a 3D network acceptor with hydrogen bond assisted crystal packing and enhanced electronic coupling for efficient organic solar cells

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  2. Opportunities and challenges for machine learning to select combination of donor and acceptor materials for efficient organic solar cells

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  3. Active Discovery of Donor:Acceptor Combinations For Efficient Organic Solar Cells

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  4. Increasing Molecular Planarity through Donor/Side‐Chain Engineering for Improved NIR‐IIa Fluorescence Imaging and NIR‐II Photothermal Therapy under 1064 nm

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  5. Increasing Molecular Planarity through Donor/Side‐Chain Engineering for Improved NIR‐IIa Fluorescence Imaging and NIR‐II Photothermal Therapy under 1064 nm

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  6. Laminated Organic Photovoltaic Modules for Agrivoltaics and Beyond: An Outdoor Stability Study of All‐Polymer and Polymer:Small Molecule Blends

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  7. Ternary PM6:Y6 Solar Cells with Single‐Walled Carbon Nanotubes

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  8. Homoconjugation effects in triptycene based organic optoelectronic materials

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  9. Machine-learning-guided prediction of photovoltaic performance of non-fullerene organic solar cells using novel molecular and structural descriptors

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  10. Side-chain engineering of nonfullerene small-molecule acceptors for organic solar cells

    Energy & Environmental Science · 2023-01-01

    Zhenghui Luo, Tongle Xu, Cai’e Zhang, Chuluo Yang

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  11. The impact of side chain elongation from the Y6 to Y6-12 acceptor in organic solar cells: a fundamental study from molecules to devices

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  12. High‐Performance Organic Solar Cells Containing Pyrido[2,3‐ b ]quinoxaline‐Core‐Based Small‐Molecule Acceptors with Optimized Orbit Overlap Lengths and Molecular Packing

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  13. High‐Performance Organic Solar Cells Containing Pyrido[2,3‐b]quinoxaline‐Core‐Based Small‐Molecule Acceptors with Optimized Orbit Overlap Lengths and Molecular Packing

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  14. Vacuum deposited organic solar cells with BTIC-H as A–D–A non-fullerene acceptor

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  15. From Solution to Thin Film: Molecular Assembly of π-Conjugated Systems and Impact on (Opto)electronic Properties

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  16. Impact of Cyano and Fluorine Group Functionalization on the Optoelectronic and Photovoltaic Properties of Donor-Acceptor-π-Acceptor Benzothiadiazole Derived Small Molecules: A DFT and TD-DFT Study

    Korean Journal of Materials Research · 2023-06-27

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  17. Influence of the number and type of the electron-withdrawing groups of the benzene substituted perylene diimide at the imide position on the optoelectronic performance in the solution/solid

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  18. Spectrum on demand light source (SOLS) for advanced photovoltaic characterization

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  19. Halogenated Nonfused Ring Electron Acceptor for Organic Solar Cells with a Record Efficiency of over 17%

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  20. Combinatorial screening of wide band-gap organic solar cell materials with open-circuit voltage between 1.1 and 1.4 V

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  21. Two-dimensional carbon/boron nitrides: modification, machine learning and beyond

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  22. Benzobisthiadiazole-Based Small Molecular Near-Infrared-II Fluorophores: From Molecular Engineering to Nanophototheranostics

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  23. Designing Thieno[3,4‑ c ]pyrrole-4,6-dione Core-Based, A2–D–A1–D–A2‑Type Acceptor Molecules for Promising Photovoltaic Parameters in Organic Photovoltaic Cells

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  27. Accelerating the discovery of acceptor materials for organic solar cells by deep learning

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  29. Predictive Modeling and Design of Organic Solar Cells: A Data-Driven Approach for Material Innovation

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  30. Comparative analysis of search approaches to discover donor molecules for organic solar cells

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  45. Decoding non-fullerene acceptors for organic solar cells: a theoretical structure–property–performance perspective

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  46. Side-group engineering at sp 3 -bridging carbons for modulating oscillator strength in rigid π-conjugated optical materials

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  47. Shaping the Future of Photovoltaics: Advances in Non-Fullerene Acceptors and Tandem Organic Solar Cells

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  50. Navigating high-dimensional processing parameters in organic photovoltaics via a multitier machine learning framework

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