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Optimizing non-fullerene acceptor molecules constituting fluorene core for enhanced performance in organic solar cells: a theoretical methodology.
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- Journal of Molecular Modeling, 2024, v. 30, n. 10, p. 1, doi. 10.1007/s00894-024-06120-x
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- Article
Experimental study of optical properties of polymeric nanowires: exciton dynamic migration.
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- Applied Physics A: Materials Science & Processing, 2021, v. 127, n. 4, p. 1, doi. 10.1007/s00339-021-04371-6
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- Article
Chemical insertion of anthracene moiety into the backbone of a newly synthesized oligophenylene (OMPA): effect on the photo-physical properties.
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- Research on Chemical Intermediates, 2021, v. 47, n. 8, p. 3437, doi. 10.1007/s11164-021-04481-z
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- Article
Computational design of new organic (D–π–A) dyes based on benzothiadiazole for photovoltaic applications, especially dye-sensitized solar cells.
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- Research on Chemical Intermediates, 2020, v. 46, n. 6, p. 3247, doi. 10.1007/s11164-020-04150-7
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The anodic reactivity of 4,4′-dimethoxychalcone: a synthetic and mechanistic investigation.
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- Research on Chemical Intermediates, 2017, v. 43, n. 1, p. 73, doi. 10.1007/s11164-016-2607-7
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- Article
Impact of the chemical insertion of the dimethylamino group on the electronic and optical properties of the 4-(methoxyphenyl acetonitrile) monomer (MPA): a DFT theoretical investigation.
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- Journal of Molecular Modeling, 2024, v. 30, n. 8, p. 1, doi. 10.1007/s00894-024-06062-4
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- Article
Theoretical investigations about the effect of electron-withdrawing groups on proprieties of A-π-D-π-A type small molecules donor for organic solar cells.
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- Journal of Molecular Modeling, 2021, v. 27, n. 2, p. 1, doi. 10.1007/s00894-020-04654-4
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- Article
DFT Modeling of Novel Donor‐Acceptor (D‐A) Molecules Incorporating 3‐hexylthiophene (3HT) for Bulk Heterojunction Solar Cells.
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- ChemistrySelect, 2017, v. 2, n. 31, p. 10082, doi. 10.1002/slct.201701481
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Template process for engineering the photoluminescence of PVK and PPV‐based nanowires.
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- Journal of Applied Polymer Science, 2019, v. 136, n. 47, p. N.PAG, doi. 10.1002/app.48201
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- Article
Optoelectronic properties of a new luminescent-synthesized organic material based on carbazole and thiophene rings for a new generation of OLEDs devices: experimental investigations and DFT modeling.
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- Journal of Materials Science: Materials in Electronics, 2023, v. 34, n. 24, p. 1, doi. 10.1007/s10854-023-11068-4
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- Article
Molecular design of D–A–D conjugated molecules based on fluorene for organic solar cells.
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- Optical & Quantum Electronics, 2019, v. 51, n. 3, p. N.PAG, doi. 10.1007/s11082-019-1799-7
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- Article
Effects of modifications of the heteroatoms on fine‐tuning the photophysical proprieties of A‐π‐D‐π‐A small molecules for photovoltaic applications.
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- International Journal of Quantum Chemistry, 2024, v. 124, n. 1, p. 1, doi. 10.1002/qua.27312
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- Article
Tunable Properties of New Cyano‐Substituent Heptahelicenes for Optoelectronic Devices: A Combined Experimental and DFT Computational Study.
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- ChemistrySelect, 2024, v. 9, n. 35, p. 1, doi. 10.1002/slct.202402296
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- Article
Conception and Theoretical Study of a New Copolymer Based on MEH-PPV and P3HT: Enhancement of the Optoelectronic Properties for Organic Photovoltaic Cells.
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- Polymers (20734360), 2022, v. 14, n. 3, p. 513, doi. 10.3390/polym14030513
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- Article
Photophysical Properties of the PVK-MEH-PPV/PCBM Composite for Organic Solar Cells Application: Synthesis, Characterization and Computational Study.
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- Polymers (20734360), 2021, v. 13, n. 17, p. 2902, doi. 10.3390/polym13172902
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Complementary Study Based on DFT of Optical and Electronic Properties of New Copolymer PVK-F8T2.
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- Polymers (20734360), 2021, v. 13, n. 11, p. 1805, doi. 10.3390/polym13111805
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- Article
Density‐functional theory (DFT) and time‐dependent DFT study of the chemical and physical origins of key photoproperties of end‐group derivatives of a nonfullerene acceptor molecule for bulk heterojunction organic solar cells.
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- Journal of Computational Chemistry, 2023, v. 44, n. 27, p. 2130, doi. 10.1002/jcc.27186
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DFT and TD-DFT design of small π-conjugated molecules with narrow band gap and high efficiency for organic solar cells.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 10, p. 1, doi. 10.1007/s00214-018-2321-1
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Synthesis and Optical Study of a New Oligophenylene.
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- Polymers (20734360), 2012, v. 4, n. 2, p. 1226, doi. 10.3390/polym4021226
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- Article
New copolymer of poly( N-vinylcarbazole) and poly( p-phenylenevinylene) for optoelectronic devices.
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- Journal of Applied Polymer Science, 2013, v. 130, n. 4, p. 2839, doi. 10.1002/app.39496
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A theoretical investigation on the properties of the new poly( N-vinylcarbazole)-3-methylthiophene (PVK-3MeT) synthesized graft copolymer.
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- Journal of Applied Polymer Science, 2011, v. 122, n. 4, p. 2391, doi. 10.1002/app.34328
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- Article