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    Influence of natural gas composition on adsorption in calcite Nanopores: A DFT study by Elkhansa Elbashier (14152815)

    Published 2021
    “…The nanopores absorbed up to 28 and 24 molecules of CH<sub>4</sub> and CO<sub>2,</sub> respectively, and the adsorption energy decreased to −0.0062 and −0.0075 eV/Å<sup>2</sup> for each. …”
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    Co-doped zigzag graphene nanoribbon based gas sensor for sensitive detection of H<sub>2</sub>S: DFT study by Ehab Salih (17075206)

    Published 2021
    “…For the case of H<sub>2</sub>S/Cu/Zn-ZGNR, the adsorption energy (E<sub>ads</sub>) and charge transfer (q) reflected an outstanding increase to −7.043 eV and −0.311 e, respectively, when compared with both pristine and doped systems: ZGNR, Zn-ZGNR, and Cu-ZGNR. …”
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