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Evaluation of Acceptor Strength in Thiophene Coupled Donor–Acceptor Chromophores for Optimal Design of Organic Photovoltaic Materials

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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For the Bright Future—Bulk Heterojunction Polymer Solar Cells with Power Conversion Efficiency of 7.4%
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Atomic charges derived from electrostatic potentials: A detailed study
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A New Dithienylbenzotriazole‐Based Poly(2,7‐carbazole) for Efficient Photovoltaics
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Rational Design of Poly(2,7‐Carbazole) Derivatives for Photovoltaic Applications
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Solar cell efficiency tables (version 54)
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Solar cell efficiency tables (Version 34)
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Synthesis and characterization of cyclopentadithiophene‐based low bandgap copolymers containing electron‐deficient benzoselenadiazole derivatives for photovoltaic devices
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Theoretical prediction of ionization/oxidation potentials in conjugated polymers
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Synthesis and photovoltaic property of polymer semiconductor with phthalimide derivative as a promising electron withdrawing material
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A brief history of the development of organic and polymeric photovoltaics
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Synthesis and photovoltaic property of donor–acceptor type conjugated polymer containing carbazole and 4,7-dithiazolylbenzothiadiazole moiety utilized as a promising electron withdrawing unit
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Synthesis and spectroscopy of 1,2,5-selenadiazolo-[3.4-b]-pyridine and 1,2,5-selenadiazolo-[3.4-c]-pyridine
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Development of Novel Conjugated Donor Polymers for High-Efficiency Bulk-Heterojunction Photovoltaic Devices
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Conjugated Polymer Photovoltaic Cells
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Synthesis and Photovoltaic Properties of D–A Copolymers Based on Alkyl-Substituted Indacenodithiophene Donor Unit
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Conjugated Side-Chain-Isolated D–A Copolymers Based on Benzo[1,2-b:4,5-b′]dithiophene-alt-dithienylbenzotriazole: Synthesis and Photovoltaic Properties
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Theoretical Studies on Conjugated Phenyl-Cored Thiophene Dendrimers for Photovoltaic Applications
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Toward a Rational Design of Poly(2,7-Carbazole) Derivatives for Solar Cells
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High Performance Weak Donor–Acceptor Polymers in Thin Film Transistors: Effect of the Acceptor on Electronic Properties, Ambipolar Conductivity, Mobility, and Thermal Stability
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Examining the Effect of the Dipole Moment on Charge Separation in Donor–Acceptor Polymers for Organic Photovoltaic Applications
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Low Band Gap Star-Shaped Molecules Based on Benzothia(oxa)diazole for Organic Photovoltaics
inferredcites →https://doi.org/10.1021/ma201648topenalex-snapshot
Rational Design of High Performance Conjugated Polymers for Organic Solar Cells
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Quinoxaline-Based Semiconducting Polymers: Effect of Fluorination on the Photophysical, Thermal, and Charge Transport Properties
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Donor–Acceptor Copolymers of Relevance for Organic Photovoltaics: A Theoretical Investigation of the Impact of Chemical Structure Modifications on the Electronic and Optical Properties
inferredcites →https://doi.org/10.1021/ma8011575openalex-snapshot
Distannylated Isothianaphthene: A Versatile Building Block for Low Bandgap Conjugated Polymers
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An alternating copolymer based on dithienothiophene and diketopyrrolopyrrole units for thin-film transistors and organic solar cells

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inferred← citeshttps://doi.org/10.1021/acs.jpcc.3c01587openalex-snapshot
Narrow–Wide Copolymers Designed for Red-Selective Absorption by Time-Dependent Density Functional Theory Calculations
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b08567openalex-snapshot
Investigating the Optical Properties of Thiophene Additions to s-Indacene Donors with Diketopyrrolopyrrole, Isoindigo, and Thienothiophene Acceptors
inferred← citeshttps://doi.org/10.1021/acs.macromol.1c00124openalex-snapshot
Low-Band gap Conjugated Polymers with Strong Absorption in the Second Near-Infrared Region Based on Diketopyrrolopyrrole-Containing Quinoidal Units
inferred← citeshttps://doi.org/10.1021/acs.macromol.6b00927openalex-snapshot
Alkoxyl Side Chain Substituted Thieno[3,4-c]pyrrole-4,6-dione To Enhance Photovoltaic Performance with Low Steric Hindrance and High Dipole Moment
inferred← citeshttps://doi.org/10.1021/acsami.7b03930openalex-snapshot
Manipulation of Chain Conformation for Optimum Charge-Transport Pathways in Conjugated Polymers
inferred← citeshttps://doi.org/10.1021/acsami.7b18381openalex-snapshot
Enhancement of the Power-Conversion Efficiency of Organic Solar Cells via Unveiling an Appropriate Rational Design Strategy in Indacenodithiophene-alt-quinoxaline π-Conjugated Polymers
inferred← citeshttps://doi.org/10.1021/acsami.8b20646openalex-snapshot
Phenothiazine Functionalized Multifunctional A−π–D−π–D−π–A-Type Hole-Transporting Materials via Sequential C–H Arylation Approach for Efficient and Stable Perovskite Solar Cells
inferred← citeshttps://doi.org/10.1021/acsami.9b18278openalex-snapshot
Rational Design of Low Band Gap Polymers for Efficient Solar Cells with High Open-Circuit Voltage: The Profound Effect of Me and Cl Substituents with a Similar van Der Waals Radius
inferred← citeshttps://doi.org/10.1021/acsami.9b20364openalex-snapshot
Insights into Excitonic Dynamics of Terpolymer-Based High-Efficiency Nonfullerene Polymer Solar Cells: Enhancing the Yield of Charge Separation States
inferred← citeshttps://doi.org/10.1021/acsomega.0c02766openalex-snapshot
Designing Star-Shaped Subphthalocyanine-Based Acceptor Materials with Promising Photovoltaic Parameters for Non-fullerene Solar Cells
inferred← citeshttps://doi.org/10.1021/acsomega.0c03796openalex-snapshot
In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells
inferred← citeshttps://doi.org/10.1021/acsomega.1c06219openalex-snapshot
Exploration of the Intriguing Photovoltaic Behavior for Fused Indacenodithiophene-Based A–D–A Conjugated Systems: A DFT Model Study
inferred← citeshttps://doi.org/10.1021/acsomega.2c00001openalex-snapshot
Molecular Modeling of Pentacyclic Aromatic Bislactam-Based Small Donor Molecules by Altering Auxiliary End-Capped Acceptors to Elevate the Photovoltaic Attributes of Organic Solar Cells
inferred← citeshttps://doi.org/10.1021/acsomega.2c02052openalex-snapshot
Influence of End-Capped Modifications in the Nonlinear Optical Amplitude of Nonfullerene-Based Chromophores with a D−π–A Architecture: A DFT/TDDFT Study
inferred← citeshttps://doi.org/10.1021/acsomega.3c07596openalex-snapshot
Heterocyclic Donor Moiety Effect on Optical Nonlinearity Behavior of Chrysene-Based Chromophores with Push–Pull Configuration via the Quantum Chemical Approach
inferred← citeshttps://doi.org/10.1021/jacs.2c06712openalex-snapshot
Conformer Ring Flip Enhances Mechanochromic Performance of ansa-Donor–Acceptor–Donor Mechanochromic Torsional Springs
inferred← citeshttps://doi.org/10.1021/jp505867yopenalex-snapshot
Design and Computational Characterization of Non-Fullerene Acceptors for Use in Solution-Processable Solar Cells
inferred← citeshttps://doi.org/10.1021/jp510751nopenalex-snapshot
Effect of Atom Substitution in Chalcogenodiazole-Containing Thermally Activated Delayed Fluorescence Emitters on Radiationless Transition
inferred← citeshttps://doi.org/10.1021/ma5014397openalex-snapshot
Direct Arylation Polycondensation of Bithiazole Derivatives with Various Acceptors
inferred← citeshttps://doi.org/10.1038/s41377-024-01695-9openalex-snapshot
Unlocking high-performance near-infrared photodetection: polaron-assisted organic integer charge transfer hybrids
inferred← citeshttps://doi.org/10.1038/s41598-017-01296-0openalex-snapshot
First-principles design of nanostructured hybrid photovoltaics based on layered transition metal phosphates
inferred← citeshttps://doi.org/10.1038/s41598-021-01070-3openalex-snapshot
Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells
inferred← citeshttps://doi.org/10.1038/s41598-021-99254-4openalex-snapshot
Exploration of efficient electron acceptors for organic solar cells: rational design of indacenodithiophene based non-fullerene compounds
inferred← citeshttps://doi.org/10.1038/s41598-022-24087-8openalex-snapshot
First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based chromophores
inferred← citeshttps://doi.org/10.1038/s41598-023-39496-6openalex-snapshot
Designing of banana shaped chromophores via molecular engineering of terminal groups to probe photovoltaic behavior of organic solar cell materials
inferred← citeshttps://doi.org/10.1038/s41598-023-41679-0openalex-snapshot
Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study
inferred← citeshttps://doi.org/10.1038/s41598-024-64700-6openalex-snapshot
A first principles based prediction of electronic and nonlinear optical properties towards cyclopenta thiophene chromophores with benzothiophene acceptor moieties
inferred← citeshttps://doi.org/10.1038/s41598-024-70457-9openalex-snapshot
Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework
inferred← citeshttps://doi.org/10.1038/s41598-024-71777-6openalex-snapshot
Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics
inferred← citeshttps://doi.org/10.1038/s41598-024-84172-yopenalex-snapshot
Exploration of promising key electronic and nonlinear optical properties of bifluorenylidene based chromophores: a TD-DFT/DFT approach
inferred← citeshttps://doi.org/10.1038/s41598-025-11718-zopenalex-snapshot
Tuning peripheral acceptors in pyran core functional materials to boost photovoltaic efficiency
inferred← citeshttps://doi.org/10.1038/s41598-025-99585-6openalex-snapshot
Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations
inferred← citeshttps://doi.org/10.1039/c3cp53268bopenalex-snapshot
Theoretical investigations on fluorinated and cyano copolymers for improvements of photovoltaic performances
inferred← citeshttps://doi.org/10.1039/c3ta14456aopenalex-snapshot
Computational modelling of donor–acceptor conjugated polymers through engineered backbone manipulations based on a thiophene–quinoxaline alternating copolymer
inferred← citeshttps://doi.org/10.1039/c4mh00102hopenalex-snapshot
Heteroannulated acceptors based on benzothiadiazole
inferred← citeshttps://doi.org/10.1039/c6ra17096jopenalex-snapshot
Effect of alkyl chain topology on the structure, optoelectronic properties and solar cell performance of thienopyrroledione-cored oligothiophene chromophores
inferred← citeshttps://doi.org/10.1039/c8nr05031gopenalex-snapshot
Tuning the conductance of a molecular wire by the interplay of donor and acceptor units
inferred← citeshttps://doi.org/10.1039/c8ra09292copenalex-snapshot
Designing indacenodithiophene based non-fullerene acceptors with a donor–acceptor combined bridge for organic solar cells
inferred← citeshttps://doi.org/10.1039/c8ta04102dopenalex-snapshot
Aromatic end-capped acceptor effects on molecular stacking and the photovoltaic performance of solution-processable small molecules
inferred← citeshttps://doi.org/10.1039/c9ra03856fopenalex-snapshot
Designing triazatruxene-based donor materials with promising photovoltaic parameters for organic solar cells
inferred← citeshttps://doi.org/10.1039/c9ra06345eopenalex-snapshot
Designing dithienonaphthalene based acceptor materials with promising photovoltaic parameters for organic solar cells
inferred← citeshttps://doi.org/10.1039/d0cp00060dopenalex-snapshot
TD-DFT benchmark for UV-visible spectra of fused-ring electron acceptors using global and range-separated hybrids
inferred← citeshttps://doi.org/10.1039/d1cp01917aopenalex-snapshot
Evaluating the nature of the vertical excited states of fused-ring electron acceptors using TD-DFT and density-based charge transfer
inferred← citeshttps://doi.org/10.1039/d1ra04529fopenalex-snapshot
Efficient tuning of zinc phthalocyanine-based dyes for dye-sensitized solar cells: a detailed DFT study
inferred← citeshttps://doi.org/10.1039/d1tc02641kopenalex-snapshot
Push–pull thiophene-based small molecules with donor and acceptor units of varying strength for photovoltaic application: beyond P3HT and PCBM
inferred← citeshttps://doi.org/10.1039/d2cp02228aopenalex-snapshot
Evaluating the impact of Hartree–Fock exact exchange on the performance of global hybrid functionals for the vertical excited-state energies of fused-ring electron acceptors using TD-DFT
inferred← citeshttps://doi.org/10.1039/d2ra04473kopenalex-snapshot
Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells
inferred← citeshttps://doi.org/10.1039/d3ra04580copenalex-snapshot
Exploration of linear and third-order nonlinear optical properties for donor–π-linker–acceptor chromophores derived from ATT-2 based non-fullerene molecule
inferred← citeshttps://doi.org/10.1039/d4ra00903gopenalex-snapshot
Influence of benzothiophene acceptor moieties on the non-linear optical properties of pyreno-based chromophores: first-principles DFT framework
inferred← citeshttps://doi.org/10.1039/d5nj02885jopenalex-snapshot
Theoretical study on the design of Y6 non-fused ring derivatives via non-covalent conformational locks
inferred← citeshttps://doi.org/10.1039/d6ra04301aopenalex-snapshot
Strategic modulation of heterocyclic donors in binaphthyl acrylonitrile-based hole transport materials for perovskite solar cells: a DFT and machine learning investigation
inferred← citeshttps://doi.org/10.1071/ch22029openalex-snapshot
Photovoltaic properties of hole transport materials for organic solar cell (OSC) applications: physiochemical insight and in silico designing
inferred← citeshttps://doi.org/10.1088/1361-6463/ac53c8openalex-snapshot
Simultaneously enhanced efficiency of eco-friendly structural characterization of the dithienocyclopentacarbazole donor based acceptors with narrow bandgap for high-performance organic solar cells
inferred← citeshttps://doi.org/10.1134/s1990793121090025openalex-snapshot
Improvement of the Optoelectronic Properties of Terazulene Molecules for Organic Solar Cell Applications
inferred← citeshttps://doi.org/10.1139/cjc-2015-0096openalex-snapshot
Design and characteration of planar star-shaped oligomer electron donors for organic solar cells: a DFT study
inferred← citeshttps://doi.org/10.1140/epjp/s13360-025-06659-5openalex-snapshot
Enhanced organic photovoltaic performance of end-capped non-fullerene acceptor molecules: a TD-DFT analysis
inferred← citeshttps://doi.org/10.1142/s0219633619500366openalex-snapshot
Tuning of optoelectronic properties of triphenylamines-based donor materials for organic solar cells
inferred← citeshttps://doi.org/10.1142/s0219633620500340openalex-snapshot
Designing of near-infrared sensitive asymmetric small molecular donors for high-efficiency organic solar cells
inferred← citeshttps://doi.org/10.1142/s2251237315400031openalex-snapshot
Benzo[1,2-c;4,5-c′]Bis[1,2,5]Thiadiazole in Organic Optoelectronics: A Mini-Review
inferred← citeshttps://doi.org/10.25259/ajc_353_2025openalex-snapshot
Unveiling the role of peripheral acceptors in ortho-benzodipyrrole-based chromophores for efficient performance in organic solar cells: A comprehensive theoretical study
inferred← citeshttps://doi.org/10.3390/ma14216723openalex-snapshot
Rational Design and Characterization of Symmetry-Breaking Organic Semiconductors in Polymer Solar Cells: A Theory Insight of the Asymmetric Advantage
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