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12 ta ish

Ish: A fast and robust algorithm for Bader decomposition of charge density

  1. Strain-dependent structural, electronic, mechanical, optical and thermoelectric properties of Sr<sub>3</sub>NBr<sub>3</sub> perovskites for solar cell applications

    Amina, Naseem Akhter, Salhah Hamed Alrefaee +9

    MaqolaPerovskite Materials and ApplicationsPhysical Chemistry Chemical Physics20254 iqtibos
    ABI

  2. First-principles investigation of the electronics, optical, mechanical, thermodynamics and thermoelectric properties of Na based Quaternary Heusler alloys (QHAs) NaHfXGe (X = Co, Rh, Ir)

    R. Zosiamliana, Lalrin Kima, Zodin Mawia +3

    MaqolaHeusler alloys: electronic and magnetic propertiesJournal of Physics Condensed Matter20231 iqtibos
    ABI

  3. Ab Initio Study Of Double Oxides ZnX <sub>2</sub> O <sub>4</sub> (X=Al, Ga, In) Having Spinel Structure

    Smagul Karazhanov, P. Ravindran

    MaqolaZnO doping and propertiesJournal of the American Ceramic Society20101 iqtibos
    ABI

  4. Collaboration between a Pt-dimer and neighboring Co–Pd atoms triggers efficient pathways for oxygen reduction reaction

    Haolin Li, Sheng Dai, Dinesh Bhalothia +3

    MaqolaElectrocatalysts for Energy ConversionPhysical Chemistry Chemical Physics20200 iqtibos
    ABI

  5. Interfacial atomic Ni tetragon intercalation in a NiO<sub>2</sub>-to-Pd hetero-structure triggers superior HER activity to the Pt catalyst

    Haolin Li, Sheng Dai, Dinesh Bhalothia +3

    MaqolaElectrocatalysts for Energy ConversionJournal of Materials Chemistry A20210 iqtibos
    ABI

  6. Two-Dimensional MOF Constructed by a Binuclear-Copper Motif for High-Performance Electrocatalytic NO Reduction to NH<sub>3</sub>

    Rong Luo, Bao-Jing Li, Zhanpeng Wang +7

    MaqolaAmmonia Synthesis and Nitrogen ReductionJACS Au20240 iqtibos
    ABI

  7. Unveiling elevated curie temperature and exceptional perpendicular magnetic anisotropy in chlorinated monolayer CrI3

    Shereen M. Al‐Shomar, A.M. Quraishi, Ghazanfar Nazir +10

    Maqola2D Materials and ApplicationsMaterials Chemistry and Physics20240 iqtibos
    ABI

  8. Pressure-sensitive germanate glass-Li <sub>2</sub> GeO <sub>3</sub> , a multifunctional energy material: a theoretical study

    R. Zosiamliana, L. Celestine, Lalhriat Zuala +6

    MaqolaFerroelectric and Piezoelectric MaterialsHigh Pressure Research20240 iqtibos
    ABI

  9. DFT and experimental study of structural, optical and thermodynamic properties of perovskite SmAsO3 for optoelectronic applications

    Muawya Elhadi, Kakul Husain, Amir Sohail Khan +8

    MaqolaChalcogenide Semiconductor Thin FilmsPhysica B Condensed Matter20250 iqtibos
    ABI

  10. Unveiling the role of Pt doping on the sensor behavior of graphene-based ternary (Boron)x-(Nitrogen)y-(Carbon)z for (x=y=1, z=2) monolayer for detection of NO2 and SO2 gases

    Mustafa Habeeb Chyad, Abdulrahman T. Ahmed, Shoira Formanova +7

    MaqolaGraphene research and applicationsJournal of Molecular Graphics and Modelling20250 iqtibos
    ABI

  11. Elucidating the Adsorption of Cytosine (C4H5N3O) Nucleobase on the Surface of MoSe2 Nanosheets Decorated with Os Atoms: Applications to DNA Biosensors

    Farag M. A. Altalbawy, Fadhil Faez, Prakash Kanjariya +6

    MaqolaAdvanced biosensing and bioanalysis techniquesJournal of Inorganic and Organometallic Polymers and Materials20250 iqtibos
    ABI

  12. Graphene-like BeN3 monolayer as an advanced anode material for Mg-ion batteries: Density functional theory study

    Qamar Abuhassan, Ghaleb A. Oriquat, Narinderjit Singh Sawaran Singh +8

    MaqolaAdvancements in Battery MaterialsJournal of Electroanalytical Chemistry20260 iqtibos
    ABI