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Ish: Enhancing the gravimetric hydrogen storage capacity and optoelectronic performance of a novel Li<sub>2</sub>GePbH<sub>6</sub> hydride perovskite: a DFT investigation

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

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    ABI

  2. Sarlavhasiz

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  3. The Compressibility of Media under Extreme Pressures

    F. D. Murnaghan

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    ABI

  4. XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals

    S.F. Pugh

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    ABI

  5. The Elastic Behaviour of a Crystalline Aggregate

    R. Hill

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  6. Necessary and sufficient elastic stability conditions in various crystal systems

    Félix Mouhat, François‐Xavier Coudert

    MaqolaOchiq kirish201419 iqtibos
    ABI

  7. New tolerance factor to predict the stability of perovskite oxides and halides

    Christopher J. Bartel, Christopher Sutton, Bryan R. Goldsmith +4

    MaqolaOchiq kirish201918 iqtibos
    ABI

  8. First principles methods using CASTEP

    Stewart J. Clark, Matthew Segall, Chris J. Pickard +4

    MaqolaOchiq kirish200513 iqtibos
    ABI

  9. Phonons and related crystal properties from density-functional perturbation theory

    Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso +1

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  10. Sarlavhasiz

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  11. Multiple defects renovation and phase reconstruction of reduced-dimensional perovskites via in situ chlorination for efficient deep-blue (454 nm) light-emitting diodes

    Mubing Yu, Ting‐Xiao Qin, Gang Gao +8

    Maqola20258 iqtibos
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  12. First principle investigation of tungsten based cubic oxide perovskite materials for superconducting applications: A DFT study

    Muhammad Khuram Shahzad, Shoukat Hussain, Muhammad Umair Farooq +4

    Maqola20237 iqtibos
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  13. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

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  14. DFT Analysis of Ba2NbRhO6: A Promising Double Perovskite for Sustainable Energy Applications

    Soufyane Belhachi, Samah Al‐Qaisi, Saidi Samah +7

    Maqola20246 iqtibos
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  15. Comprehensive exploration of halide double perovskites Cs2BʹGeCl6 (Bʹ: Zn, Cd) for affordable energy technologies: a high-throughput investigation

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

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  16. Self‐Induced Bi‐interfacial Modification via Fluoropyridinic Acid For High‐Performance Inverted Perovskite Solar Cells

    Kunpeng Li, Yong Zhu, Xiong Chang +9

    Maqola20245 iqtibos
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  17. Unveiling the mechanical, structural, thermoelectric, and optoelectronic potential of K2NaGaBr6 and K2RbTlBr6 double perovskites for sustainable technologies

    Hudabia Murtaza, Quratul Ain, Junaid Munir +4

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  18. Synthesis and decomposition of perovskite-type hydrides, MMgH3 (M = Na, K, Rb)

    Kenji Komiya, N. Morisaku, R. Rong +4

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  19. First‐principle investigation of <scp>XSrH<sub>3</sub></scp> (X = K and Rb) perovskite‐type hydrides for hydrogen storage

    Hafiz Hamid Raza, G. Murtaza, Umm‐e‐Hani +2

    Maqola20203 iqtibos
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  20. Lithium doping in Na-based double perovskite for hydrogen storage and improving their optoelectrronic properties: First-principles investigation

    Tianyu Tang, Yan-Lin Tang

    Maqola20243 iqtibos
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  21. First-principles study of structural, mechanical, optical, and electronic properties of double perovskite RbBa2Ti3O10 material for photocatalytic applications

    Shoukat Hussain, Jalil Ur Rehman, Muhammad Bilal Tahir +1

    Maqola20243 iqtibos
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  22. A comprehensive theoretical analysis of the physical attributes of cesium-based Cs2LiTlCl6 double perovskites for eco-friendly technologies

    Hudabia Murtaza, Quratul Ain, Junaid Munir +4

    Maqola20243 iqtibos
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  23. Hydrogen storage: Materials, methods and perspectives

    Saba Niaz, Taniya Manzoor, Altaf Hussain Pandith

    Maqola20153 iqtibos
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  24. Study of double perovskite materials RbX2Y3O10 (X Mg, Ca, Y Ti, Zr) for photocatalytic applications: A DFT insights

    Shoukat Hussain, Jalil Ur Rehman, Abid Hussain +2

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  25. Theoretical investigation of XSnH3 (X: Rb, Cs, and Fr) perovskite hydrides for hydrogen storage application

    M. Kashif Masood, Wahidullah Khan, Khawla Chaoui +5

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