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Works cited by this work

80 works

Work: Elucidating the multifunctional properties of double perovskite hydrides X2MnTlH6 (X = Na, K): A DFT study of half-metallicity, magnetism, hydrogen storage, and optical properties

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  6. First-principle insight into the structural, electronic, elastic and optical properties of Cs-based double perovskites Cs<sub>2</sub>XCrCl<sub>6</sub> (X = K, Na)

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  7. Insight into structural, electronic, optical and elastic properties of double perovskites Rb2XCrCl6 (X= K, Na) via DFT study

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  11. First-principles investigation for the hydrogen storage properties of XTiH3 (X=K, Rb, Cs) perovskite type hydrides

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  12. A DFT study of structural, electronic, mechanical, phonon, thermodynamic, and H2 storage properties of lead-free perovskite hydride MgXH3(X=Cr, Fe, Mn)

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  13. First-principles calculations to investigate structural, electronics, mechanical, and optical properties of KGaO3 cubic perovskite for photocatalytic water-splitting application

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  14. DFT study of structural, mechanical, and opto-electronic properties of scadium-based halide double perovskite Cs2ScInBr6 for optoelectronic applications

    Suhail A. Dar, Basharat Want

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  15. Atomistic spin model simulations of magnetic nanomaterials

    R F L Evans, W J Fan, P Chureemart +3

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  16. Chemical looping steam reforming of bio-oil for hydrogen-rich syngas production: Effect of doping on LaNi0.8Fe0.2O3 perovskite

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  17. Investigation of structural, electronic, mechanical, optical and hydrogen storage properties of cobalt-based hydride-perovskites XCoH3 (X = In, Mn, Sr, Sn, Cd) for hydrogen storage application

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  18. Ab-initio calculations for the study of the hydrogen storage properties of CsXH3 (X= Co, Zn) perovskite-type hydrides

    Waqar Azeem, Muhammad Khuram Shahzad, Yew Hoong Wong +1

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  19. DFT-based first-principles calculations of new NaXH<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si92.svg" display="inline" id="d1e792"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math> (X = Ti, Cu) hydride compounds for hydrogen storage applications

    S. Bahhar, Abdellah Tahiri, A. Jabar +3

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  20. Structure, half-metallic and magnetic properties of bulk and (001) surface of Rb<sub>2</sub>XMoO<sub>6</sub> (X = Cr, Sc) double perovskites: a DFT + U study

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  21. DFT study of electronic, optical, and elastic properties of double perovskites Rb<sub>2</sub>YAgX<sub>6</sub> (X = Br, I) compounds for opto-electronic device applications

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  22. Hydrogen storage: Materials, methods and perspectives

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  23. The electronic, magnetic and optical properties of double perovskite A2FeReO6 (A = Sr, Ba) from first principles approach

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  24. Magnetic and electronic properties of a single crystal of ordered double perovskite<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Sr</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">FeMoO</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

    Y. Tomioka, Taichi Okuda, Y. Okimoto +3

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  25. Systematic investigation of the magneto-electronic structure and optical properties of new halide double perovskites Cs<sub>2</sub>NaMCl<sub>6</sub> (M = Mn, Co and Ni) by spin polarized calculations

    Shabir Ahmad Mir, Dinesh C. Gupta

    Article20203 citations
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