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6 ta ish

Ish: Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations

  1. Discriminative adsorption and sensing of air pollutants for public health by graphdiyne: irreversible adsorption and selectivity toward NO2 revealed by DFT

    Bhishma Karki, Ali B.M. Ali, G. PadmaPriya +8

    MaqolaGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics20263 iqtibos
    ABI

  2. DFT investigation of pure and doped C60 fullerenes as potential sensing materials for pancreatic cancer biomarker detection

    Nagendra Prasad Yadav, Ghada Al-Assi, Omayma Salim Waleed +8

    MaqolaFullerene Chemistry and ApplicationsMaterials Chemistry and Physics20261 iqtibos
    ABI

  3. Theoretical insights into the application of petal Graphyne monolayer as a promising sensor for propylene oxide

    Qamar Abuhassan, Kamel A. Saleh, Omayma Salim Waleed +8

    MaqolaGas Sensing Nanomaterials and SensorsJournal of Molecular Graphics and Modelling20260 iqtibos
    ABI

  4. Selective gas sensing and electronic response of Al-decorated phographene (Al-d-PHOG) nanosheets: Insights from DFT and electron density analyses

    Bhishma Karki, Ahmed Aldulaimi, Omayma Salim Waleed +8

    MaqolaGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics20260 iqtibos
    ABI

  5. Ir4–BSe and Rh4–BSe heterojunction systems as highly efficient sensor platforms for detection of NO2, SO2 and SOCl2 gas molecules: A first principles study

    Ali Khelef, Tatyana A. Orlova, Pinank Patel +7

    Maqola20260 iqtibos
    ABI

  6. Reactive differentiation and electronic selectivity of gas molecules on BC10N: A first-principles investigation for advanced sensing platforms

    Bhishma Karki, Mohamed Bechir Ben Hamida, Ghaleb A. Oriquat +8

    Maqola20260 iqtibos
    ABI