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Theoretical Description of the Physical/chemical Contributions Determining the Stability of Transition-Metal Doped Phosphorene Nanosheets
preprintsubmitted on 22.07.2020, 02:43 and posted on 23.07.2020, 07:31 by Sasha Gazzari, Kerry Wrighton-Araneda, Diego Cortes-Arriagada
In this report, we explore the stability of doped-phosphorene nanosheets with first-row transition metals in the framework of density functional theory and by using a bonding characterization and energy decomposition analyses.