Publications HAL du projet ANR. 22-PETA-0015

2025

Journal articles

titre
Nanothermometry-Guided In Situ Decoding of Perovskite Solar Cell Degradation under Optical Stress
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The operational instability of perovskite solar cells (PSCs) remains a key obstacle to their long-te .....
Accès au texte intégral et bibtex
https://hal.sorbonne-universite.fr/hal-05226148/file/jiazhuo%20NIE%20maun%202025.04.07_R1_V2_for%20HAL.pdf BibTex
titre
Design Principles for Narrow-Gap Hybrid Semiconductors: Insights from Viologen-Tin and Viologen-Lead Iodides
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Hybrid metal halide semiconductors containing “electronically active” organics are an arising su .....
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https://hal.science/hal-05167303/file/Viologens-SnPb-MainText%20_HAL_Repository.pdf BibTex
titre
Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures
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Density Functional Tight-Binding (DFTB), an approximative approach derived from Density Functional T .....
Accès au texte intégral et bibtex
https://hal.science/hal-04963542/file/final_HAL_DFTB_for_MetalHalides.pdf BibTex
titre
Three-Dimensional to Layered Halide Perovskites: A Parameter-Free Hybrid Functional Method for Predicting Electronic Band Gaps
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Accurate prediction of electronic band gaps in halide perovskites is crucial for optoelectronic appl .....
Accès au bibtex
https://arxiv.org/pdf/2501.13852 BibTex
titre
A 2D Double Perovskite Based on the Chiral Cystaminium Cation Exhibiting Multiple Switches in Quadratic Nonlinear Optical Response
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Over the past decade, double halide perovskites with 2D structural architectures have emerged as a p .....
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https://hal.science/hal-05346674/file/revised_jacs_Manuscript_Mercier.pdf BibTex

Conference papers

titre
MULTISCALE MODELS FOR PEROVSKITE OPTIMISATION
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This paper presents a multiscale approach to evaluate perovskite solar cell performance whic .....

Accès au texte intégral et bibtex
https://hal.science/hal-05315093/file/Multiscale-models-for-perovskite-optimisation_EUPVSEC.pdf BibTex

Preprints, Working Papers, ...

titre
Roadmap for electronic structure, anharmonicity, and electron-phonon calculations in locally disordered inorganic and hybrid halide perovskites
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The role of data in modern materials science becomes more valuable and accurate when effects such as .....
Accès au texte intégral et bibtex
https://hal.science/hal-05344840/file/2506.10402v1.pdf BibTex
titre
Electron-phonon couplings in locally disordered materials: The case of hybrid halide perovskites
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Positional polymorphism in solids refers to distributions of correlated locally disordered unit cell .....
Accès au texte intégral et bibtex
https://hal.science/hal-05344829/file/2506.09673v1.pdf BibTex

2024

Journal articles

titre
Coupled in-situ electrical and optical characterization to assess the accelerated ageing of perovskite solar cells
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While perovskite-based solar cells exhibit excellent efficiencies and require a relatively s .....

Accès au texte intégral et bibtex
https://hal.science/hal-04992941/file/HAL%20Coupled_in_situ_electrical_and_optical_characterization_to_assess_the_accelerated_ageing_of_perovskite_solar_cells.pdf BibTex
titre
Synergetic Exterior and Interfacial Approaches by Colloidal Carbon Quantum Dots for More Stable Perovskite Solar Cells Against UV
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Abstract The achievement of both efficiency and stability in perovskite solar cells (PSCs) remains a .....
Accès au texte intégral et bibtex
https://hal.science/hal-04727268/file/hal-04727268.pdf BibTex