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10 ta ish

Ish: Hybrid functionals based on a screened Coulomb potential

  1. Atom-to-Device Simulation of MoO3/Si Heterojunction Solar Cell

    Jasurbek Gulomov, Oussama Accouche, Zaher Al Barakeh +3

    MaqolaChalcogenide Semiconductor Thin FilmsNanomaterials20225 iqtibos
    ABI

  2. Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics

    Mohammad Khazaei, Iraj Maleki, Namitha Anna Koshi +11

    MaqolaMXene and MAX Phase MaterialsPhysical Chemistry Chemical Physics20242 iqtibos
    ABI

  3. Effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba<sub>5</sub>M<sub>4</sub>O<sub>15</sub>(M = Ta, Nb): a DFT study using HSE06

    Ehsan Zahedi, Mirabbos Hojamberdiev, Maged F. Bekheet

    MaqolaPerovskite Materials and ApplicationsRSC Advances20161 iqtibos
    ABI

  4. Theoretical Investigation of Lead Perovskite PbXO<sub>3</sub> (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach

    Zosiamliana Renthlei, L. Celestine, Lalrin Kima +7

    MaqolaPerovskite Materials and ApplicationsEnergy & Fuels20231 iqtibos
    ABI

  5. Band gap opening of graphene by forming a graphene/PtSe<sub>2</sub> van der Waals heterojunction

    Zhaoyong Guan, Shuang Ni, Shuanglin Hu

    MaqolaGraphene research and applicationsRSC Advances20170 iqtibos
    ABI

  6. The origin of the enhanced photocatalytic activity of carbon nitride nanotubes: a first-principles study

    Qian Gao, Shuanglin Hu, Yi Du +1

    MaqolaAdvanced Photocatalysis TechniquesJournal of Materials Chemistry A20170 iqtibos
    ABI

  7. Improved thermoelectric performance of bilayer Bi<sub>2</sub>O<sub>2</sub>Se by the band convergence approach

    Menglu Li, Ning Wang, Ming Jiang +5

    MaqolaAdvanced Thermoelectric Materials and DevicesJournal of Materials Chemistry C20190 iqtibos
    ABI

  8. Methods of estimations of the band gap for kesterite Cu2ZnSnS(Se)4

    Damir Mamedov, Komiljon Yakubov, R.B. Bazarbaev +3

    MaqolaChalcogenide Semiconductor Thin FilmsMaterials Today Proceedings20200 iqtibos
    ABI

  9. Electronic, magneto-optic and band alignments of MnO2/AlN and MnO2/SiC topological vdW hetrostructures: A DFT study

    Abdulrahman Qais Khaleel, Abhinav Kumar, Farag M. A. Altalbawy +7

    Maqola2D Materials and ApplicationsSolid State Communications20250 iqtibos
    ABI

  10. Sulfur substitution in BaZrO3 perovskite: A first-principles study of bandgap tuning for photovoltaic applications

    A. Hossain, M. M. Haque, Abdulla Hayitov +5

    MaqolaHeusler alloys: electronic and magnetic propertiesAIP Advances20260 iqtibos
    ABI