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6 works

Work: Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

  1. Insight of thermodynamic properties by the substitution of alkali metal ions in X2InGaCl6 (X = K, Rb, Cs) perovskites: DFT calculation and AIMD simulation

    Asghar Hussain, Ijaz Hussain, Muhammad Khuram Shahzad +7

    ArticlePerovskite Materials and ApplicationsThe Journal of Chemical Thermodynamics20261 citations
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  2. First-principles investigation of the equation of state and elastic properties of perovskite-type SrW(O,N)3 under hydrostatic pressures up to 139 GPa

    Ehsan Zahedi, Mirabbos Hojamberdiev

    ArticleHigh-pressure geophysics and materialsThe European Physical Journal B20170 citations
    ABI

  3. A first–principles study on polar hexagonal Cs 2 Te M 3 O 12 ( M = W, Mo): New visible–light responsive photocatalyst

    Ehsan Zahedi, Mirabbos Hojamberdiev

    ArticleAdvanced Photocatalysis TechniquesJournal of Solid State Chemistry20170 citations
    ABI

  4. Investigation of Mn-doping effects on the structural, morphological, thermal, and catalytic properties of Co3O4 spinel nanoparticle catalysts for CO oxidation

    Daniel Manhouli Daawe, Cédric Karel Fonzeu Monguen, Stéphane Kenmoe +1

    ArticleCatalytic Processes in Materials ScienceChemPhysMater20250 citations
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  5. Self‐Assembled Gallium Sulfide (GaS) Heterostructures Enabling Efficient Water Splitting and Selective Ammonia Sensing

    Danil Bukhvalov, Gianluca D’Olimpio, Tsotne Dadiani +11

    Article2D Materials and ApplicationsAdvanced Functional Materials20250 citations
    ABI

  6. 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

    Asghar Hussain, Muhammad Khuram Shahzad, Abhinav Kumar +8

    ArticleHydrogen Storage and MaterialsNew Journal of Chemistry20250 citations
    ABI