Charge‐Transfer Complexes: Fundamentals and Advances in Catalysis, Sensing, and Optoelectronic Applications

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

Published: July 24, 2024

Abstract Supramolecular assemblies, formed through electronic charge transfer between two or more entities, represent a rich class of compounds dubbed as charge‐transfer complexes (CTCs). Their distinctive formation pathway, rooted in processes at the interface CTC‐forming components, results delocalization along molecular stacks, rendering CTCs intrinsic conductors. Since discovery CTCs, intensive research has explored their unique properties including magnetism, conductivity, and superconductivity. recently recognized semiconducting functionality inspired recent developments applications requiring organic semiconductors. In this context, offer tuneable energy gap, charge‐transport properties, tailorable physicochemical interactions, photoresponsiveness, potential for scalable manufacturing. Here, an updated viewpoint on is provided, presenting them emerging To end, chemical alongside synthesis methods are reviewed. The that benefit various related realms optoelectronics, catalysts, gas sensors discussed. Insights future existing limitations described.

Language: Английский

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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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Engineering of asymmetric A1-D1-A2-D2-A1 type non-fullerene acceptors of 4T2CSi–4F derivatives to enhance photovoltaic properties: A DFT study

Journal of Physics and Chemistry of Solids, Journal Year: 2024, Volume and Issue: 192, P. 112094 - 112094

Published: May 10, 2024

Language: Английский

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Review on the DFT computation of bulk heterojunction and dye-sensitized organic solar cell properties

Journal of Molecular Modeling, Journal Year: 2025, Volume and Issue: 31(3)

Published: Feb. 13, 2025

Language: Английский

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Optimizing non-fullerene acceptor molecules constituting fluorene core for enhanced performance in organic solar cells: a theoretical methodology

Journal of Molecular Modeling, Journal Year: 2024, Volume and Issue: 30(10)

Published: Sept. 19, 2024

Language: Английский

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Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach

RSC Advances, Journal Year: 2025, Volume and Issue: 15(8), P. 5965 - 5976

Published: Jan. 1, 2025

In the present study, phenylsulfonyl carbazole-based organic chromophores, abbreviated as PSCD1–PSCD6, were designed through tailoring terminal group of a PSCR chromophore.

Language: Английский

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Effect of solvents and polymers microenvironment on the photophysical behaviour of 2,6-dihydroxy-4-methyl quinoline: Applications in photovoltaic technologies

Journal of Molecular Liquids, Journal Year: 2025, Volume and Issue: unknown, P. 127531 - 127531

Published: April 1, 2025

Language: Английский

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Impact of core modification with quinacridone derivative on the photovoltaic properties of triphenylamine-based materials: A theoretical study

Journal of Photochemistry and Photobiology A Chemistry, Journal Year: 2024, Volume and Issue: 458, P. 115943 - 115943

Published: Aug. 8, 2024

Language: Английский

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Computational modeling of non-fullerene donor based on indacenodithiophene with amplified optoelectronic attributes for organic solar cells

Journal of Physics and Chemistry of Solids, Journal Year: 2025, Volume and Issue: unknown, P. 112571 - 112571

Published: Jan. 1, 2025

Language: Английский

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Structural Modeling of Fluorinated Quinoxaline Core–Based Chromophores for Efficient Photovoltaic Materials: A DFT Study

Journal of Physical Organic Chemistry, Journal Year: 2024, Volume and Issue: 38(1)

Published: Oct. 18, 2024

ABSTRACT Herein, a series of fluorinated quinoxaline core–based chromophores ( MTH1‐MTH6 ) with A 1 – π –A 2 configuration was designed by structural modulation end‐capped acceptors in MTHR . The quantum chemical calculations were accomplished at MPW1PW91/6‐311G(d,p) functional to explore optoelectronic and photovoltaic properties these compounds. findings revealed that all the derivatives exhibited narrow band gap E = 2.163–2.666 eV) red shift spectra (610.24–766.944 eV chloroform) as compared compounds comparable open‐circuit voltage V oc higher power conversion efficiencies (PCEs) Among entitled chromophores, MTH1 found be promising chromophore for organic solar cells (OSCs) owning its lowest (2.163 highest absorption peak (766.944 nm chloroform 717.709 gaseous phase). aforementioned indicate molecular engineering extended enhances response, this motivates researchers develop highly effective devices.

Language: Английский

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