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10 ta ish

Ish: Adsorption of O3, SO2 and SO3 gas molecules on MoS2 monolayers: A computational investigation

  1. Enhancing the H2S and SO2 sensing capabilities of WS2 nanosheets by transition metal (Mo, Nb, Zr) adsorption: A DFT study

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

    MaqolaGas Sensing Nanomaterials and SensorsComputational and Theoretical Chemistry20251 iqtibos
    ABI

  2. Electronic and adsorption properties of halogen molecule X2 (X=F, Cl) adsorbed arsenene: First-principles study

    Muhammad Mateen, Muhammad Mushtaq, Abdelazim M. Mebed +6

    MaqolaAdvanced Chemical Physics StudiesHeliyon20240 iqtibos
    ABI

  3. Adsorption properties of N containing N2O, NH3, NO and NO2 gas molecules on the novel TiO2 doped MoSe2 heterostructure system: A systematic DFT study

    Shaker Al‐Hasnaawei, Farag M. A. Altalbawy, Prakash Kanjariya +6

    Maqola2D Materials and ApplicationsComputational Materials Science20250 iqtibos
    ABI

  4. Adsorption behaviors of organic nitrobenzene (C6H5NO2) and pyridine (C5H5N) molecules on the Sc, Ti and V modified MoSTe nanosheets: A comparative first principles study

    Ahamad Alewedee, Shoira Formanova, Pinank Patel +7

    Maqola2D Materials and ApplicationsMaterials Chemistry and Physics20250 iqtibos
    ABI

  5. Enhanced sensing performance of Aun cluster modified BSe nanosheets (Aun-BSe) for trapping non-cyclic and cyclic N containing molecules: A comparative DFT study

    Nisar Ahmad Koka, Farag M. A. Altalbawy, Mandeep Kaur +8

    Maqola2D Materials and ApplicationsInorganic Chemistry Communications20250 iqtibos
    ABI

  6. Tailoring the Adsorption and Sensing Properties of S Containing Molecules on the Novel Ag Cluster Decorated BSe Nanosheets: A Comparative DFT Study

    M.A. Farag, Altalbawy, Pawan Sharma +10

    Maqola2D Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20250 iqtibos
    ABI

  7. Tailoring the adsorption properties of iridium and osmium cluster functionalized WSe2 nanosheets towards NO2, SO2 and SO2F2 molecules: A DFT study

    Fadhil Faez, Shoira Formanova, Pinank Patel +7

    Maqola2D Materials and ApplicationsComputational and Theoretical Chemistry20250 iqtibos
    ABI

  8. 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

  9. Theoretical investigation of the adsorption behaviors of mercaptopurine drug on the Pd and Pt functionalized MoSe2 nanosheets: Applications to drug delivery systems

    Munthar Kadhim Abosaoda, Farag M. A. Altalbawy, Nikunj Rachchh +7

    Maqola2D Materials and ApplicationsComputational and Theoretical Chemistry20250 iqtibos
    ABI

  10. Unveiling the mechanism of enhanced SO₃ sensing on P-doped T-graphene: The critical roles of donor-acceptor interactions and dopant hybridization

    Qamar Abuhassan, G. PadmaPriya, Subhashree Ray +8

    MaqolaGas Sensing Nanomaterials and SensorsComputational and Theoretical Chemistry20250 iqtibos
    ABI