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57 ta ish

Ish: A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

  1. Interface manipulation of d-band center by single-atom iron cathodic electroactive membrane to boost molecular oxygen activation for antibiotics removal in pharmaceutical tailwater

    Ruijun Ren, Q L Zhang, Jiangqi Qu +11

    MaqolaAdvanced oxidation water treatmentWater Research20260 iqtibos
    ABI

  2. Adsorption of N containing gas molecules on the noble metal (Ir, Os and Pt) modified silicene nanosheets: a theoretical study using DFT and electron density simulations

    Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8

    MaqolaGraphene research and applicationsApplied Physics A20260 iqtibos
    ABI

  3. DFT-D3 investigation of the adsorption of methane and haloalkanes (CH2Cl2, CHCl3) on the Osmium and Ruthenium cluster doped BSe nanosheets: Implications for promising sensors

    Qamar Abuhassan, Ghada Al-Assi, Ahmed Aldulaimi +8

    Maqola2D Materials and ApplicationsApplied Physics A20260 iqtibos
    ABI

  4. Mechanistic pathways of OER and HER on transition metal-supported NbO2 electrocatalysts: a theoretical study

    Qamar Abuhassan, Ghaleb Oriquat, Omayma Salim Waleed +8

    MaqolaElectrocatalysts for Energy ConversionApplied Physics A20260 iqtibos
    ABI

  5. Understanding the synergistic role of Ni/Pt doping and γ-Al2O3 support in tuning CO2 adsorption and activation on Cu13 nanoclusters

    Qamar Abuhassan, Husni Farah, Omayma Salim Waleed +8

    MaqolaCatalysts for Methane ReformingJournal of Molecular Graphics and Modelling20260 iqtibos
    ABI

  6. Fine-Tuning of Charge-Transport Properties of Terrylenediimide-Based Sensitizers for Dye-Sensitized Solar Cells

    Qamar Abuhassan, Rima Heider Al Omari, Narinderjit Singh Sawaran Singh +8

    MaqolaTiO2 Photocatalysis and Solar CellsJournal of Electronic Materials20260 iqtibos
    ABI

  7. Tuning Dielectric-Magnetic Synergy in (Fe/TiC)@C Nanocomposites via Phase Composition Control for Broadband Microwave Absorption

    Nan Shen, Wenwen Wang, Jipan Zhang +9

    MaqolaElectromagnetic wave absorption materialsNanomaterials20260 iqtibos
    ABI