A sodium alginate-polyaniline hydrogel evaporator with salt suppression ability and mechanical stability: Heterojunction construction and water treatment

International Journal of Biological Macromolecules, Год журнала: 2025, Номер unknown, С. 142366 - 142366

Опубликована: Март 1, 2025

Язык: Английский

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Examining the Relationship between Synthetic Accessibility and Efficiency in Organic Solar Cells: A Statistical Analysis

ACS Applied Energy Materials, Год журнала: 2025, Номер unknown

Опубликована: Март 31, 2025

Язык: Английский

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A faster computational frame work for dye design and screening: A goal to achieve higher ionization energy

Chemical Physics Letters, Год журнала: 2025, Номер unknown, С. 142106 - 142106

Опубликована: Апрель 1, 2025

Язык: Английский

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Synergistic optimization of bulk defects and back contact in Cu2ZnSn(S,Se)4 solar cells via inducing the heavy-rare-earth erbium ions

Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 162890 - 162890

Опубликована: Апрель 1, 2025

Язык: Английский

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Temperature‐Modulated Nucleation Engineering Enables Uniform Distribution of Cations for Efficient Kesterite Solar Cells

Advanced Functional Materials, Год журнала: 2025, Номер unknown

Опубликована: Апрель 24, 2025

Abstract Kesterite Cu 2 ZnSn(S,Se) 4 (CZTSSe) has emerged as a highly promising photovoltaic material because of its environmentally friendly characteristics and low cost. However, multicomponent inorganic semiconductor material, the complex nature CZTSSe leads to disorder in crystallization reaction process at high‐temperature selenization, resulting numerous antisite defects that cause significant non‐radiative recombination open circuit voltage loss final device. Therefore, it is great challenge fabricate high‐quality absorbers with homogeneous chemical composition uniform cation distribution for achieving high‐efficiency solar cells. Herein, synergistic have been successfully realized via temperature‐modulated nucleation strategy. This strategy effectively more sites larger nuclei sizes thin films distribution. As result, cells over 14% realized. work reveals mechanism nucleation, providing simple feasible route

Язык: Английский

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Machine Learning Assisted Designing of Dyes and Oscillator Strength Prediction: Chemical Space Generation and Visualization

ChemistrySelect, Год журнала: 2025, Номер 10(17)

Опубликована: Апрель 29, 2025

Abstract This study introduces a swift framework utilizing machine learning (ML) techniques to design dyes. The involves training of ML models predict oscillator strength. Subsequently, employing the breaking retrosynthetically interesting chemical substructures (BRICS) methodology, 10,000 new dyes are generated, and their strength values forecasted using pre‐trained model. Dyes with higher predicted retained for further consideration. To make future experiments easier, synthetic accessibility these chosen is also assessed. structural diversity among investigated, revealing high degree variation.

Язык: Английский

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Machine learning-driven discovery of high-performance hole-conducting organic materials for solar cells and synthetic accessibility assessment

Chemical Engineering Science, Год журнала: 2025, Номер unknown, С. 121748 - 121748

Опубликована: Апрель 1, 2025

Язык: Английский

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Data Mining and Machine Learning Analysis to Find Polymers for Electronic and Photovoltaics Applications: A Goal to Achieve Higher Dielectric Constant

Advanced Theory and Simulations, Год журнала: 2025, Номер unknown

Опубликована: Май 3, 2025

Abstract The discovery of polymers with high dielectric constants is significant interest for advanced electronic applications, such as capacitors, flexible electronics, and energy storage devices. In this study, data mining machine learning (ML) techniques are applied to identify superior constant. Molecular descriptors calculated. These used train several models, including linear regression, gradient booting histgradient boosting bagging decision tree random forest regression. By employing cross‐validation hyperparameter tuning, best model optimized robust predictive performance. A database 10k generated their constant predicted ML model. Thirty higher values selected. This work demonstrates the power data‐driven approaches in accelerating high‐performance applications.

Язык: Английский

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Machine learning-assisted chemical space generation of small molecule organic semiconductors for efficient photodetectors

Computational Materials Science, Год журнала: 2024, Номер 241, С. 113037 - 113037

Опубликована: Апрель 25, 2024

Язык: Английский

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Revealing the Role of Hydrogen in Highly Efficient Ag-Substituted CZTSSe Photovoltaic Devices: Photoelectric Properties Modulation and Defect Passivation

Nano-Micro Letters, Год журнала: 2024, Номер 17(1)

Опубликована: Дек. 3, 2024

Abstract The presence of Sn Zn -related defects in Cu 2 ZnSn(S,Se) 4 (CZTSSe) absorber results large irreversible energy loss and extra electron–hole non-radiative recombination, thus hindering the efficiency enhancement CZTSSe devices. Although incorporation Ag can effectively suppress significantly improve resulting cell performance, an excellent has not been achieved to date primarily owing poor electrical-conductivity low carrier density film induced by substitution. Herein, this study exquisitely devises Ag/H co-doping strategy via substitution programs followed hydrogen-plasma treatment procedure for achieving efficient In-depth investigation demonstrate that H Ag-based is expected caused Importantly, C=O O–H functional groups hydrogen incorporation, serving as electron donor, interact with under-coordinated cations material, passivating defects. Consequently, appropriate amount mitigates prolongs minority lifetime, yields a champion 14.74%, showing its promising application kesterite-based

Язык: Английский

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