Found: 14
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Advancing optoelectronic performance of organic and perovskite photovoltaics: computational modeling of hole transport material based on end-capped dibenzocarbazole molecules.
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- Research on Chemical Intermediates, 2024, v. 50, n. 4, p. 1895, doi. 10.1007/s11164-024-05244-2
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- Article
Effects of additional π-spacers on the photovoltaic properties of organic dyes for efficient dye-sensitized solar cells: a theoretical study.
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- Research on Chemical Intermediates, 2022, v. 48, n. 12, p. 5243, doi. 10.1007/s11164-022-04850-2
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- Article
Benzocarbazole-based D–Di–π–A dyes for DSSCs: DFT/TD-DFT study of influence of auxiliary donors on the performance of free dye and dye–TiO<sub>2</sub> interface.
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- Research on Chemical Intermediates, 2021, v. 47, n. 10, p. 4257, doi. 10.1007/s11164-021-04531-6
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- Article
Coumarin-based D–π–A dyes for efficient DSSCs: DFT and TD-DFT study of the π-spacers influence on photovoltaic properties.
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- Research on Chemical Intermediates, 2021, v. 47, n. 2, p. 875, doi. 10.1007/s11164-020-04302-9
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- Article
DFT and TD-DFT calculations on thieno[2,3-b]indole-based compounds for application in organic bulk heterojunction (BHJ) solar cells.
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- Research on Chemical Intermediates, 2019, v. 45, n. 3, p. 1327, doi. 10.1007/s11164-018-3674-8
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- Article
Adsorption studies of isoxazole derivatives as corrosion inhibitors for mild steel in 1M HCl solution: DFT studies and molecular dynamics simulation.
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- Journal of Molecular Modeling, 2024, v. 30, n. 6, p. 1, doi. 10.1007/s00894-024-05982-5
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- Article
Computational studies of the influence of auxiliary acceptors in the D-A'-π-A structure of organic dyes on the photovoltaic performance of dye solar cells.
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- Journal of Molecular Modeling, 2024, v. 30, n. 3, p. 1, doi. 10.1007/s00894-024-05871-x
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- Article
A theoretical study on the role of the π-spacer in the thoughtful design of good light-absorbing dyes with phenothiazine for efficient dye-sensitized solar cells (DSSCs).
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- Journal of Molecular Modeling, 2024, v. 30, n. 1, p. 1, doi. 10.1007/s00894-023-05783-2
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- Article
Theoretical investigation of the effect of changing the auxiliary acceptor on the performance of organic D-A'-A dyes used as sensitizers in DSSCs.
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- Journal of Molecular Modeling, 2023, v. 29, n. 12, p. 1, doi. 10.1007/s00894-023-05766-3
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- Article
Theoretical investigation by DFT and TDDFT the extension of π-conjugation of novel carbazole-based donor materials for bulk heterojunction organic solar cell applications.
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- Journal of Molecular Modeling, 2022, v. 28, n. 11, p. 1, doi. 10.1007/s00894-022-05347-w
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- Article
Conformational preferences of Ac-Pro-azaXaa-NHMe (Xaa = Asn, Asp, Ala) and the effect of intramolecular hydrogen bonds on their stability in gas phase and solution.
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- Journal of Molecular Modeling, 2021, v. 27, n. 12, p. 1, doi. 10.1007/s00894-021-04992-x
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- Article
Theoretical study of organic sensitizers based on 2, 6-diphenyl-4H-pyranylidene/1, 3, 4-oxadiazole for dye-sensitized solar cells.
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- Journal of Molecular Modeling, 2020, v. 26, n. 12, p. 1, doi. 10.1007/s00894-020-04611-1
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- Article
Computational Investigation of Conformational Properties of Short Azapeptides: Insights from DFT Study and NBO Analysis.
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- Molecules, 2023, v. 28, n. 14, p. 5454, doi. 10.3390/molecules28145454
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- Article
DFT/TDDFT Investigation of the Effect of Electron Acceptor Groups on Photovoltaic Performance Using Phenothiazine‐Based D‐Ai‐π‐A Dyes for DSSC Applications.
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- ChemistrySelect, 2024, v. 9, n. 36, p. 1, doi. 10.1002/slct.202403042
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- Article