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77 works

Work: Ab-initio insights into narrow bandgap Li₂MIrCl₆ (M = Cu, Ag) double perovskite halides for next-generation optoelectronic and energy devices

  1. Band gap engineering of novel double perovskites Na2LiYX6 (X=Cl, Br) through halide ion replacement for solar cell and energy harvesting applications

    Nazia Erum, Javed Ahmad, Mumtaz Manzoor +2

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  2. Investigating the structural, electronic, and optical properties of the novel double perovskite K2AgBiI6 using DFT

    Mohamed Karouchi, Abdelkebir Ejjabli, Omar Bajjou +5

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  3. Investigated the structural, optoelectronic, mechanical, and thermoelectric properties of Sr <sub>2</sub> BTaO <sub>6</sub> (B = Sb, Bi) for solar cell applications

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  4. Semiconductor nanoheterostructures for photoconversion applications

    Mei-Jing Fang, Chun‐Wen Tsao, Yung‐Jung Hsu

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  5. Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals

    George Volonakis, Marina R. Filip, Amir A. Haghighirad +4

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  6. Electronic structure calculations of solids using the WIEN2k package for material sciences

    Karlheinz Schwarz, Peter Blaha, Georg K. H. Madsen

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  7. Synergistic modulation of <scp>SLME</scp> and thermal transport toward promising p‐type lead‐free halide semiconductors <scp>In<sub>2</sub>TiX<sub>6</sub></scp> (X = Br, I) via first principles analysis

    Jaidev Kumbhakar, Jisha Annie Abraham, Anshuman Srivastava +4

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  8. A computational approach to study optoelectronic thermoelectric behavior of ternary zinc Aluminates ZnAl2X4 (X = S, Se, Te) for low-cost energy technologies

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  9. Inspecting the structural stability, magneto-opto-electronic, and transport characteristics of half-metallic ferromagnets double perovskite oxide (Sr2MoSbO6): A DFT study

    Nazia Iram, Dalia Fouad, Ramesh Sharma +1

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  10. An emerging aspirant for solar cell and non-conventional energy applications: Lead free fluoro-perovskites A2TlInF6 (A = K, Rb)

    D. N. Shukla, Ramesh Sharma, Ajay Kumar Shukla +4

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  11. A comprehensive investigation of the electronic structure, optical, and thermoelectric response of AcYTe2 (Y = Ag, Cs) full Heusler alloys

    Muhammad Jamil, Muhammad Salman, Mumtaz Manzoor +3

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  12. Lead‐Free Organic–Inorganic Hybrid Perovskites for Photovoltaic Applications: Recent Advances and Perspectives

    Zejiao Shi, Jia Guo, Yonghua Chen +5

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  13. Structural, elastic, electronic, and optical properties of lead-free halide double perovskites Cs2BꞌBꞌꞌBr6 (BꞌBꞌꞌ: BeMg, CdBe, CdGe, GeMg, GeZn, MgZn): Ab initio calculations

    M. Caid, D. Rached, H. Rached +1

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  14. Potential Applications of Halide Double Perovskite Cs<sub>2</sub>AgInX<sub>6</sub> (X = Cl, Br) in Flexible Optoelectronics: Unusual Effects of Uniaxial Strains

    Zhao Zhang, Jie Su, Jie Hou +5

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  15. DFT analysis of the physical properties of direct band gap semiconducting double perovskites A <sub>2</sub> BIrCl <sub>6</sub> (A = Cs, Rb; B = Na, K) for solar cells and optoelectronic applications

    Md. Tarekuzzaman, Nazmul Shahadath, Mufrat Montasir +5

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  16. Investigation of structural, elastic, electronic, and optical properties of lead-free double perovskites Cs2XBeBr6 (X = Ge, Sn): a first-principles DFT study

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  17. Kramers–Kronig Relations

    Marius Grundmann

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  18. Study of optoelectronic and thermoelectric properties of K2XSbCl6 (X= In, Au) double perovskites for energy conversion devices: A DFT insight

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