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    The effect of ZrOx modification of graphene nanoribbon on its adsorption for NOx: A DFT investigation by Ahmad I. Ayesh (10188469)

    Published 2022
    “…Though the adsorption energy of NO<sub>x</sub> gas is boosted, generally, for AGNR structures due to modification with ZrO<sub>x</sub>, the doped structures have greater adsorption energy when compared with the decoration ones. …”
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