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Abstract
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.
Theoretical Description of the Physical/chemical Contributions Determining the Stability of Transition-Metal Doped Phosphorene Nanosheets
23 July 2020, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.
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Version History
Jul 23, 2020 Version 1
Version Notes
Version of July 21, 2020.
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Funding
CONICYT/FONDECYT project #11170289
CONICYT/FONDEQUIP project EQM180180
Fund of Scientific and Technological Equipment, the year 2018, code L318-04, Universidad Tecnológica Metropolitana
CONICYT/FONDECYT de Postdoctorado #3200270
Author’s competing interest statement
There are no competing interests to declare by the authors.