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RESEARCH PAPER · Computational Materials Science · 2024

A DFT investigation of Ti-substituted CaZrS3 for tailored photovoltaic properties

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A DFT investigation of Ti-substituted CaZrS3 for tailored photovoltaic propertiesOriginalStructural, Electronic, and Optical Properties of Perovskites CaATe3 (A = Zr Or Hf): A Theoretical Investigation12Numerical Analysis of High‐Efficiency Chalcogenide Perovskite Solar Cells (InBiSe3/GaBiSe3): Study of Single and Bilayer Configurations13Optimization of Optoelectronic Properties in BaHfS3 with Substitutional Alloying: A First Principles Study0Investigation of CaZrO 3− x S x oxysulfide perovskite thin films grown by pulsed laser deposition1Optical Modulations in Halogen-Functionalized Janus V2COX MXene: A First-Principles Study0

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  1. Structural, Electronic, and Optical Properties of Perovskites CaATe3 (A = Zr Or Hf): A Theoretical Investigation

    Semiconductors · 2024-12-01

    Ahmed Memdouh Younsi, Mohamed Elbar, Abdelaziz Rabehi

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  2. Numerical Analysis of High‐Efficiency Chalcogenide Perovskite Solar Cells (InBiSe3/GaBiSe3): Study of Single and Bilayer Configurations

    physica status solidi (a) · 2024-12-13

    Lakhdar Benahmedi, Besbes Anissa, Radouan Djelti, Samia Moulebhar

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  3. Optimization of Optoelectronic Properties in BaHfS3 with Substitutional Alloying: A First Principles Study

    Springer proceedings in physics · 2025-01-01

    A.K. Sneha, Saji Joseph, Thomas Mathew, Vincent Mathew

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  4. Investigation of CaZrO 3− x S x oxysulfide perovskite thin films grown by pulsed laser deposition

    Journal of Physics Energy · 2026-03-16

    Hussain Althubyani, Daniel C.A. Stoeffler, Jérémy Bartringer, Stéphane Roques, Dris Ihiawakrim, A. Dinia, Thomas Fix

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  5. Optical Modulations in Halogen-Functionalized Janus V2COX MXene: A First-Principles Study

    Journal of Condensed Matter · 2026-04-24

    N Kavyasree, Sruthi T Sruthi T, Vincent Mathew

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