Advancements in Photovoltaic Cell Materials: Silicon, Organic, and Perovskite Solar Cells

Machín, Abniel; Márquez, Francisco

doi:10.3390/ma17051165

Cited by 10 publications

(1 citation statement)

References 162 publications

(285 reference statements)

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“…This was due to their lower optical absorption coefficients. Recently, experimental values for methylammonium-formamidinium-based perovskite cells exceeded 20%, with the highest recorded value reaching 26.00%, approaching its theoretical maximum limit efficiency [29,30]. Although SLME does not consider factors such as carrier mobility and intrinsic defects in actual thin films, our work still reveals the application potential of these hybrid gold-based perovskite derivatives, laying the foundation for future research on their practical applications.…”

Section: First-principles Calculationsmentioning

confidence: 84%

Hybrid Gold-Based Perovskite Derivatives: Synthesis, Properties, and Prospects in Photovoltaics

Liu,

Fu,

Nan

et al. 2024

Inorganics

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Hybrid gold-based perovskite derivatives typically exhibit low optical bandgaps and high optical absorption coefficients, rendering them promising for photovoltaic applications. In this study, we successfully synthesized six new hybrid gold-based perovskite derivatives, namely [(C6H8N2)(AuI4)(AuI2)](3AMPY), [(C6H14N2)(AuI4)(AuI2)](3AMP), [(C8H12N)(AuI4)](2PEAI), [(C4H14N2O)(AuI4)2](OBA), [(C6H18N2O2)3(AuI4)4(I3)2](DDA), and [(C10H26N2O3)(AuI4)(I3)](TOTA), through a straightforward and efficient hydrothermal method, achieving millimeter-sized single crystals. The structural analysis of the single crystals revealed variations in crystal structures arising from differences in constituent units and their spatial positioning relationships. First-principles calculations ascertained their high optical absorption coefficients in the visible light spectrum and indirect bandgap properties. Theoretical models indicated that the spectroscopic limited maximum efficiency (SLME) values of 3AMPY, 2PEAI, DDA, and TOTA approached approximately 30% in films of 0.5 μm thickness, signifying their potential candidacy as solar cell absorbers.

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Section: First-principles Calculationsmentioning

confidence: 84%

Hybrid Gold-Based Perovskite Derivatives: Synthesis, Properties, and Prospects in Photovoltaics

Liu,

Fu,

Nan

et al. 2024

Inorganics

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Innovations for Cleaner Futures: Emerging Technologies in Air Pollution Mitigation

Imarhiagbe,

Nwodo,

Ogwu

2024

The Handbook of Environmental Chemistry

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Cu(β-diketonato)2 bathochromic shifts from the ultraviolet towards the visible region

Conradie

2024

J Mol Model

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Context The DFT-calculated ultraviolet/visible properties of 11 different Cu(β-diketonato)2 complexes are presented. The selected β-diketonato ligands on the Cu complex contain none, one or two aromatic rings. The experimentally measured absorbance maxima range of the ultraviolet/visible is observed at 295–390 nm, and the calculated range is 302–425 nm, for the 11 complexes in this study. More aromatic rings on the ligand lead to bathochromic shifts of the experimentally measured absorbance maxima from the ultraviolet towards the visible region. Absorbance maxima of the Cu(β-diketonato)2 complexes with no aromatic rings on the ligand are found to be predominantly ligand-to-metal charge transfer excitations, whereas introducing one or two aromatic rings shifts the excitations to predominantly ligand-to-ligand charge transfer. Methods DFT calculations were conducted on the neutral molecules with multiplicity 2, using the PBEh1PBE functional and the aug-cc-pVDZ basis set as implemented in the Gaussian 16 package. The selected solvent was acetonitrile, the solvent in which most of the experimental UV/Vis are reported. The molecules were all optimized in the solvent phase, using the IEFPCM. The initial coordinates for the compounds were generated using Chemcraft. Highlights TDDFT of 11 different Cu(β-diketonato)2 complexes follow the experimental trend. Aromatic rings on the ligand lead to Bathochromic shifts of UV/Visible spectra. No aromatic rings on the ligand lead to ligand-to-metal charge transfer excitations. Aromatic rings on the ligand lead to ligand-to-ligand charge transfer excitations. Graphical abstract Bathochromic shifts in eco-friendly Cu(β-diketonato)2.

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Advancements in Photovoltaic Cell Materials: Silicon, Organic, and Perovskite Solar Cells

Cited by 10 publications

References 162 publications

Hybrid Gold-Based Perovskite Derivatives: Synthesis, Properties, and Prospects in Photovoltaics

Hybrid Gold-Based Perovskite Derivatives: Synthesis, Properties, and Prospects in Photovoltaics

Innovations for Cleaner Futures: Emerging Technologies in Air Pollution Mitigation

Cu(β-diketonato)2 bathochromic shifts from the ultraviolet towards the visible region

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