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RESEARCH PAPER · Journal of Physics and Chemistry of Solids · 2022

Large birefringence in the quasi-one-dimensional material Sb2Se3: A DFT investigation of electronic and optical anisotropy

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Large birefringence in the quasi-one-dimensional material Sb2Se3: A DFT investigation of electronic and optical anisotropyOriginalLarge optical anisotropy in quasi-one-dimensional tantalum thallium chalcogenides TaTlX3 (X = S, Se): A first-principles investigation3A first principles characterization of electronic and optical anisotropy of quasi-one-dimensional transition metal lead sulfides PbMS3 (M = Hf, Zr)3The quest for optimal photovoltaics: A theoretical exploration of quasi-one-dimensional tin based chalcogenides XSnS 3 (X=Ba, Sr)3Computational Investigation of Quantum Capacitance Enhancement in Functionalized Mgb2 - Based Supercapacitor Electrodes0Performance Limits of Phase Change Integrated Photonics19Computational investigation of quantum capacitance enhancement in Mg-substituted MgB 2 -based supercapacitor electrodes3A DFT investigation of Ti-substituted CaZrS3 for tailored photovoltaic properties5Noncollinear ferrielectricity and hydrogen-induced ferromagnetic polar half-metallicity in MnO 3 Cl5Optimization of Optoelectronic Properties in BaHfS3 with Substitutional Alloying: A First Principles Study0New energy gap-refractive index relationship: A nonlinear regression analysis using python2Temperature-dependent thin film growth and properties correlation of antimony selenide photoabsorber for solar cells5Bandgap engineering and optical anisotropy in AHf1-xTixS3 (A=Ca,Sr): A DFT-based comparative study0Unique Defect Characteristics of Antimony Chalcogenide Photovoltaic Materials7Investigation of physical properties in Sb2Se3 films through ZnO nanoparticles incorporation: A stirring-assisted electrodeposition approach and Raman spectroscopic analysis0Unraveling the superior photovoltaic mechanism of Sb2Se3: Insights from structural and electronic comparisons with CsSbSe20Amorphisation of antimony sulphide and antimony selenide optical phase-change materials: local structural insights0Characterization of Anisotropic Optical Behavior in Phase‐Change Material Sb 2 Se 30Multimodality of Antimony Selenide: Emerging Multifunctional Semiconductor for Optoelectronics, Photonics, Catalysis, and Biomedical Applications0Experimental, DFT, and SCAPS‐1D Investigation of Sulfur‐Incorporated Sb 2 Se 3 Powders for Photovoltaic Applications0

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  1. Large optical anisotropy in quasi-one-dimensional tantalum thallium chalcogenides TaTlX3 (X = S, Se): A first-principles investigation

    Materials Chemistry and Physics · 2023-04-17

    C.P. Sujith, Saji Joseph, Thomas Mathew, Thomas Mathew, Vincent Mathew

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  2. A first principles characterization of electronic and optical anisotropy of quasi-one-dimensional transition metal lead sulfides PbMS3 (M = Hf, Zr)

    Physica B Condensed Matter · 2023-09-06

    C.P. Sujith, Saji Joseph, A.K. Sneha, Thomas Mathew, Vincent Mathew

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  3. The quest for optimal photovoltaics: A theoretical exploration of quasi-one-dimensional tin based chalcogenides XSnS 3 (X=Ba, Sr)

    Materials Today Communications · 2023-11-03

    V. Chethan, C.P. Sujith, Thomas Mathew, Madegowda Mahendra

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  4. Computational Investigation of Quantum Capacitance Enhancement in Functionalized Mgb2 - Based Supercapacitor Electrodes

    SSRN Electronic Journal · 2024-01-01

    T Sruthi, Vincent Mathew

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  5. Performance Limits of Phase Change Integrated Photonics

    IEEE Journal of Selected Topics in Quantum Electronics · 2024-01-31

    Junying Li, Yiting Yun, Kai Yan Xu, Jiaxin Zhang, Hongtao Lin, Yifei Zhang, Juejun Hu, Tian Gu

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  6. Computational investigation of quantum capacitance enhancement in Mg-substituted MgB 2 -based supercapacitor electrodes

    Computational Condensed Matter · 2024-07-17

    T Sruthi, Vincent Mathew

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

    Computational Materials Science · 2024-08-20

    A.K. Sneha, Saji Joseph, C.P. Sujith, Thomas Mathew, Thomas Mathew, Vincent Mathew

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  8. Noncollinear ferrielectricity and hydrogen-induced ferromagnetic polar half-metallicity in MnO 3 Cl

    Physical review. B./Physical review. B · 2024-10-23

    Xinyu Yang, Jun Chen, Shan‐Shan Wang, Shuai Dong

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  9. 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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  10. New energy gap-refractive index relationship: A nonlinear regression analysis using python

    Next Materials · 2025-11-14

    C.P. Sujith

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  11. Temperature-dependent thin film growth and properties correlation of antimony selenide photoabsorber for solar cells

    Inorganic Chemistry Communications · 2026-02-05

    Kuldeep Singh Gour, Charubala Boominathan, Nikhil Kumar, Sunil Kumar, PARITOSH DUBEY

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  12. Bandgap engineering and optical anisotropy in AHf1-xTixS3 (A=Ca,Sr): A DFT-based comparative study

    Computational Condensed Matter · 2026-02-26

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

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  13. Unique Defect Characteristics of Antimony Chalcogenide Photovoltaic Materials

    Accounts of Chemical Research · 2026-04-04

    Xiaoqi Peng, Zichen Ruan, Changfei Zhu, Shangfeng Yang, Tao Chen

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  14. Investigation of physical properties in Sb2Se3 films through ZnO nanoparticles incorporation: A stirring-assisted electrodeposition approach and Raman spectroscopic analysis

    Surfaces and Interfaces · 2026-06-09

    Kaveh Boloori-Ghazvini, Farid Jamali‐Sheini, Mohsen Cheraghizade

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  15. Unraveling the superior photovoltaic mechanism of Sb2Se3: Insights from structural and electronic comparisons with CsSbSe2

    Journal of materials research/Pratt's guide to venture capital sources · 2026-07-21

    Shun Guo, Shouze Qiu, Liyin Zhang, Peng Xu, Jingya Tang

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  16. Amorphisation of antimony sulphide and antimony selenide optical phase-change materials: local structural insights

    Optical Materials Express · 2026-07-24

    Eleanor Gaggs, M. Kim, Yuta Saito, Miloš Krbal, Michael Holynski, Miguel Navarro‐Cía, Robert Edward Simpson

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  17. Characterization of Anisotropic Optical Behavior in Phase‐Change Material Sb 2 Se 3

    Advanced Optical Materials · 2026-08-01

    Yael Gutiérrez, Dilson Juan, Filippo Agresti, Iñigo Lopez-Mulet, Jorge Parra, María Gabriela Fernández-Manteca, Saúl Vázquez-Miranda, Shirly Espinoza, María Losurdo, Pablo Sanchis

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  18. Multimodality of Antimony Selenide: Emerging Multifunctional Semiconductor for Optoelectronics, Photonics, Catalysis, and Biomedical Applications

    Advanced Materials Technologies · 2026-09-25

    Kuldeep Singh Gour, Nikhil Kumar, Mukesh Kumar Thakur

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  19. Experimental, DFT, and SCAPS‐1D Investigation of Sulfur‐Incorporated Sb 2 Se 3 Powders for Photovoltaic Applications

    Chemistry - An Asian Journal · 2026-10-01

    Kuldeep Singh Gour, Charubala Boominathan, Sunil Kumar, Nikhil Kumar, Paritosh Dubey

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