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9 works

Work: Investigation of the adsorption of ozone molecules on TiO2/WSe2 nanocomposites by DFT computations: Applications to gas sensor devices

  1. A comparative DFT study of the delivery performance of Au cluster decorated MoSe2 and WSe2 nanosheets for hydroxyurea and nitrosourea anticancer drugs

    Farag M.A. Altalbawy, Munthar Kadhim Abosaoda, Suranjana V. Mayani‎ +7

    Article2D Materials and ApplicationsMaterials Chemistry and Physics20251 citations
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  2. 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

    Article2D Materials and ApplicationsComputational Materials Science20250 citations
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  3. 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

    Article2D Materials and ApplicationsMaterials Chemistry and Physics20250 citations
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  4. 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

    Article2D Materials and ApplicationsInorganic Chemistry Communications20250 citations
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  5. 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

    Article2D Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20250 citations
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  6. 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

    Article2D Materials and ApplicationsComputational and Theoretical Chemistry20250 citations
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  7. 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

    ArticleAdvanced biosensing and bioanalysis techniquesJournal of Inorganic and Organometallic Polymers and Materials20250 citations
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  8. 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

    Article2D Materials and ApplicationsComputational and Theoretical Chemistry20250 citations
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  9. Tuning Biomolecular Adsorption and Electronic Sensitivity of α-Phographene via Targeted Heteroatom Doping

    Qamar Abuhassan, Mohamed Abu Shuheil, Rafid Kamal Jameel +8

    ArticleGraphene research and applicationsJournal of Inorganic and Organometallic Polymers and Materials20260 citations
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